Molecule FYI-1016380

A

Molecule Summary:

ID: FYI-1016380
Names:
InChIKey: GTWINKOFZUDNNW-UHFFFAOYSA-N
SMILES: C=CC(=O)COCCOCC(CC)(COCCOCC(=O)C=C)COCCOC(=O)C=C

Received at FYIcenter.com on: 2025-12-15

Molecule ID: FYI-1016380 Edit

Molecule Structure InChIKey: GTWINKOFZUDNNW-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)COCCOCC(CC)(COCCOCC(=O)C=C)COCCOC(=O)C=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016380
FYIcenter.com

 32 31  0  0  0  0  0  0  0  0999 V2000
    9.6466    2.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4520    1.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2136    2.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6186    3.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4763    5.0955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7951    1.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8849    2.6676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6825    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4204    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1909    2.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2806    3.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5867    2.5380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9469    6.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8046    7.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2752    8.7941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0289    1.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7905    2.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6058    1.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1329    9.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6764    3.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3674    2.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2963    3.7239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1874    1.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6034   11.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2084   11.3140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4322   12.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8237   12.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9824    2.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9643    1.5127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1421    3.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4012    3.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 12 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 20 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016380-3D
FYIcenter.com

 68 67  0  0  0  0  0  0  0  0999 V2000
    7.7886   -4.4296    9.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3410   -4.4165    8.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1123   -3.7688    7.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9413   -2.9249    7.8464 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6935   -3.9715    6.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3550   -3.5415    5.8911 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0445   -2.2794    6.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7205   -1.0549    5.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1451   -1.0929    6.0161 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7992    0.0288    5.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3583   -0.0829    5.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8225   -1.3806    4.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4057   -1.5730    3.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9060    1.1820    4.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3323    1.3360    3.4254 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9032    2.4295    2.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3700    2.4218    1.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8914    3.5655    0.6523 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4368    3.6630   -0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0242    4.8945   -1.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4576    5.4401   -2.3077 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3457    5.3840   -0.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8965    6.5018   -1.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0063   -0.0522    6.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8169   -1.2617    7.5335 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3362   -1.2606    8.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8559   -2.4733    9.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3448   -3.8029    9.3166 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0810   -4.4057    8.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3726   -5.3999    7.9875 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0105   -4.0193    7.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2827   -3.7778    7.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1534   -4.7408   10.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7890   -4.1293   10.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3448   -4.7441    8.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8160   -5.0230    5.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3703   -3.4184    5.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2537   -2.3048    7.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9581   -2.1780    6.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3440   -0.1616    6.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4613   -1.0149    4.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5012    0.9293    5.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4202    0.1349    4.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4524   -2.2494    5.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9187   -1.4360    4.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3194   -1.5564    3.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7611   -2.5461    2.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500   -0.8237    2.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9981    1.1174    4.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6654    2.0737    5.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9975    2.3505    2.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6432    3.3676    3.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2740    2.4422    1.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6881    1.5066    0.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3453    3.7540   -0.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7457    2.7813   -1.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8354    4.8074   -0.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4043    7.0882   -2.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8520    6.8531   -0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6143    0.7954    7.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0910    0.0914    6.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9773   -0.3600    9.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4269   -1.2395    8.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7688   -2.4492    9.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1847   -2.3396   10.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6285   -4.0612    6.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6380   -3.8236    8.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0023   -3.5544    6.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 57  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 25  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 28  1  0  0  0  0
 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 66  1  0  0  0  0
 32 67  1  0  0  0  0
 32 68  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-01-24, 796👍, 0💬