Molecule FYI-1014096

A

Molecule Summary:

ID: FYI-1014096
Names:
InChIKey: BYOVXTQEHIZGIW-UHFFFAOYSA-N
SMILES: CC(C)(C)c2cc(CCC(=O)OCC(C)(C)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)cc(C(C)(C)C)c2O

Received at FYIcenter.com on: 2025-02-28

Molecule ID: FYI-1014096 Edit

Molecule Structure InChIKey: BYOVXTQEHIZGIW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c2cc(CCC(=O)OCC(C)(C)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)cc(C(C)(C)C)c2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014096
FYIcenter.com

 45 46  0  0  0  0  0  0  0  0999 V2000
   13.3050    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0955    4.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0955    3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3050    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3666    4.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5145    6.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3050    6.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7241    6.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9337    6.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1432    6.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3527    6.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5622    6.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5622    8.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3527    9.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1432    8.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3527   10.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9561   10.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3527   11.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7494   10.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7719    9.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7719    6.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4702    7.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9814    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0736    5.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8859    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6764    4.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    6.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573    4.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0477    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    4.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    4.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287    2.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287    1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0253    1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    2.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5112    4.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9078    6.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20 13  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
 25  2  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 36 31  1  0  0  0  0
 37 35  1  0  0  0  0
 38 37  1  0  0  0  0
 39 37  1  0  0  0  0
 40 37  1  0  0  0  0
 41 34  1  0  0  0  0
 42 33  1  0  0  0  0
 43 42  1  0  0  0  0
 44 42  1  0  0  0  0
 45 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014096-3D
FYIcenter.com

105106  0  0  0  0  0  0  0  0999 V2000
    7.8300    2.4786    0.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0471    2.8376    2.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0607    2.9660    3.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4463    4.2563    2.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9868    1.7352    2.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3123    0.6229    3.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4018   -0.4051    3.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8178   -1.6346    4.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5693   -1.5284    5.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0036   -2.8061    6.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9108   -3.5255    6.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2736   -3.0144    7.5795 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6318   -4.1594    8.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0963   -3.7120    9.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827   -2.7389    9.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9519   -2.9735   10.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5009   -4.9708   10.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8663   -4.5827   11.9270 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1831   -4.3373   12.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1059   -4.6993   11.4588 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3280   -3.3605   13.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3068   -3.6110   14.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4415   -2.6440   15.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7022   -1.4561   15.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7254   -0.5825   16.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8254    0.6855   16.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9858    0.8322   15.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8109    0.6533   17.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6584    1.9867   16.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5640   -0.9658   17.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5089   -0.2953   18.9708 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4175   -2.0988   17.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4139   -2.4853   18.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6987   -3.4198   19.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6540   -3.2229   18.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0044   -1.2898   19.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983   -2.9382   16.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1085   -0.3048    2.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7115    0.7584    2.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2609    0.8300    1.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950   -0.3814    2.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5462    2.0871    2.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2030    0.8535    0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7004    1.7306    1.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4240    2.6744    0.9086 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5891    3.2362    0.6954 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1680    2.4017    0.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3441    1.5157    1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7510    3.8031    3.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6907    2.0781    3.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5444    3.1453    4.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2301    5.0236    2.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7495    4.4821    2.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9265    4.3982    1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3130    0.5189    3.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8778   -1.8395    4.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2815   -2.5064    3.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5031   -1.3615    5.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1325   -0.6982    6.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4066   -4.7730    7.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7345   -4.7842    8.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0282   -1.8675    9.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1438   -3.2346    9.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5975   -2.3419   10.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6526   -2.0681    9.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2473   -2.6647   11.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0684   -3.6146   10.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3009   -5.5379   10.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6440   -5.6524   10.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2104   -2.3505   12.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3486   -3.4437   13.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4066   -4.6397   14.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2828   -3.5418   14.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0647   -1.2624   14.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2887   -0.0041   15.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6286    0.8888   14.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3851    1.7497   15.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1601   -0.2262   17.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1687    1.5427   17.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2872    0.6366   18.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3779    2.0507   15.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2153    2.0985   17.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0060    2.8677   16.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5876    0.6487   18.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -4.3397   19.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8200   -2.9368   20.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3655   -3.7122   20.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4088   -4.2047   17.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4069   -3.4080   19.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1290   -2.6266   17.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2740   -0.7972   20.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4327   -0.5423   18.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8030   -1.6218   20.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8579   -3.8676   16.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4239   -1.1109    3.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002   -0.4336    3.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8210   -1.3273    1.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3784   -0.3164    1.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5261    2.0866    3.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088    2.1325    1.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0178    3.0202    1.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6986   -0.0232   -0.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6611    1.7453   -0.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1615    0.8483   -0.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9088    3.3625    1.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 46  1  0  0  0  0
  1 47  1  0  0  0  0
  1 48  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 49  1  0  0  0  0
  3 50  1  0  0  0  0
  3 51  1  0  0  0  0
  4 52  1  0  0  0  0
  4 53  1  0  0  0  0
  4 54  1  0  0  0  0
  5  6  1  0  0  0  0
  5 44  2  0  0  0  0
  6  7  2  0  0  0  0
  6 55  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 56  1  0  0  0  0
  8 57  1  0  0  0  0
  9 10  1  0  0  0  0
  9 58  1  0  0  0  0
  9 59  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 60  1  0  0  0  0
 13 61  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 62  1  0  0  0  0
 15 63  1  0  0  0  0
 15 64  1  0  0  0  0
 16 65  1  0  0  0  0
 16 66  1  0  0  0  0
 16 67  1  0  0  0  0
 17 18  1  0  0  0  0
 17 68  1  0  0  0  0
 17 69  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 70  1  0  0  0  0
 21 71  1  0  0  0  0
 22 23  1  0  0  0  0
 22 72  1  0  0  0  0
 22 73  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  2  0  0  0  0
 24 25  2  0  0  0  0
 24 74  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 75  1  0  0  0  0
 27 76  1  0  0  0  0
 27 77  1  0  0  0  0
 28 78  1  0  0  0  0
 28 79  1  0  0  0  0
 28 80  1  0  0  0  0
 29 81  1  0  0  0  0
 29 82  1  0  0  0  0
 29 83  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 84  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 34 85  1  0  0  0  0
 34 86  1  0  0  0  0
 34 87  1  0  0  0  0
 35 88  1  0  0  0  0
 35 89  1  0  0  0  0
 35 90  1  0  0  0  0
 36 91  1  0  0  0  0
 36 92  1  0  0  0  0
 36 93  1  0  0  0  0
 37 94  1  0  0  0  0
 38 39  2  0  0  0  0
 38 95  1  0  0  0  0
 39 40  1  0  0  0  0
 39 44  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  0  0  0  0
 41 96  1  0  0  0  0
 41 97  1  0  0  0  0
 41 98  1  0  0  0  0
 42 99  1  0  0  0  0
 42100  1  0  0  0  0
 42101  1  0  0  0  0
 43102  1  0  0  0  0
 43103  1  0  0  0  0
 43104  1  0  0  0  0
 44 45  1  0  0  0  0
 45105  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 1150👍, 0💬