Molecule FYI-1015653

A

Molecule Summary:

ID: FYI-1015653
Names:
InChIKey: SGHRMCRWASXTTK-XTQSDGFTSA-N
SMILES: CCCC/C=C\\1OC(=O)C1CCCCCCCCCCCCCCCC

Received at FYIcenter.com on: 2025-09-22

Molecule ID: FYI-1015653 Edit

Molecule Structure InChIKey: SGHRMCRWASXTTK-XTQSDGFTSA-N

Molecule Structure SMILES String: CCCC/C=C\1OC(=O)C1CCCCCCCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1015653
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
   20.6114    4.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5286    6.3486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6156    3.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3843    3.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5946    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1987    2.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4090    1.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0130    1.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2234    0.0000    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
  1 19  2  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015653-3D
FYIcenter.com

 70 70  0  0  1  0  0  0  0  0999 V2000
   11.3260   -7.3906    0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4140   -6.1826    0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2649   -6.4672   -0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3079   -5.2877   -0.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9275   -4.0566   -1.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5552   -2.8038   -1.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8270   -1.6713   -1.7135 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7548   -1.0577   -1.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2729    0.0315   -1.3232 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5683   -2.2385   -0.1557 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1049   -2.0140    1.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3326   -0.8867    1.9159 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8535   -0.6176    3.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875    0.5386    3.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5964    0.8001    5.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250    1.9455    5.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3387    2.1994    7.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5693    3.3455    8.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0832    3.6001    9.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3155    4.7454   10.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8269    5.0015   11.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.1458   12.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5765    6.4019   13.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8096    7.5530   14.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3171    7.8151   15.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5459    8.9658   16.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1469   -7.1690    1.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7541   -7.6632   -0.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7761   -8.2539    0.7593 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0050   -5.3316   -0.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0162   -5.9147    1.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6930   -7.3336   -0.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6581   -6.7411   -1.7106 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8538   -5.0683    0.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4908   -5.5888   -1.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6643   -4.1855   -2.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5637   -2.6720   -0.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1727   -1.7564    1.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0122   -2.9331    1.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2634   -1.1281    1.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4282    0.0363    1.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9234   -0.3760    3.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7428   -1.5175    3.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0162    0.3040    3.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2053    1.4399    3.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6660    1.0419    5.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4843   -0.1039    5.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7545    1.7029    5.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9363    2.8503    5.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4091    2.4394    7.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2277    1.2941    7.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4998    3.1044    8.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6808    4.2504    7.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1527    3.8402    9.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9711    2.6948   10.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2431    4.5048   10.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4239    5.6511    9.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8988    5.2375   11.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7152    4.0929   12.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    5.9065   12.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1744    7.0511   11.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6461    6.6406   13.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4630    5.4959   14.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7409    7.3106   14.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9213    8.4526   13.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3819    8.0629   15.5088 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    6.9195   16.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6666    9.8836   15.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9086    9.1546   17.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4765    8.7322   16.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  2  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 21  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 22  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 23  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 24  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 25  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 25 26  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 26 68  1  0  0  0  0
 26 69  1  0  0  0  0
 26 70  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 932👍, 0💬