Molecule FYI-1016702

A

Molecule Summary:

ID: FYI-1016702
Names:
InChIKey: KIWLCEXSSGNBJU-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO

Received at FYIcenter.com on: 2026-02-24

Molecule ID: FYI-1016702 Edit

Molecule Structure InChIKey: KIWLCEXSSGNBJU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016702
FYIcenter.com

 31 30  0  0  0  0  0  0  0  0999 V2000
   28.2187    5.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.3566    6.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3487    5.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4170    6.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6427    5.7895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5574    4.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9434    6.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8464    7.7077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7938    5.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5270    6.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3774    5.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1107    5.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9611    5.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6943    5.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5447    4.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2779    5.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1283    4.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8616    5.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9081    4.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5436    4.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5901    3.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2256    3.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2721    2.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9076    3.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541    2.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5895    2.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6360    1.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2715    1.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3180    0.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9535    1.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016702-3D
FYIcenter.com

 85 84  0  0  1  0  0  0  0  0999 V2000
    1.0558   -0.0556    0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5705   -0.0553    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0899    0.0330   -1.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6083    0.0356   -1.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1195    0.1239   -2.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6366    0.1263   -2.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1471    0.2166   -4.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6638    0.2170   -4.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1743    0.3072   -5.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6908    0.3076   -5.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2009    0.3979   -7.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7173    0.3982   -7.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2275    0.4885   -8.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7439    0.4888   -8.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2543    0.5811   -9.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7710    0.5814   -9.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2819    0.6737  -11.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7996    0.6741  -11.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3115    0.7645  -12.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8309    0.7634  -12.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3456    0.8561  -14.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8671    0.8518  -14.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4363    0.9355  -15.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9507    0.9237  -15.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6215    0.8764  -14.6276 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4849    1.0332  -16.9148 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3744    2.1575  -17.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5348    3.3998  -17.3883 C   0  0  3  0  0  0  0  0  0  0  0  0
   24.6849    3.5914  -16.2530 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4206    4.6257  -17.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6403    5.7821  -17.9127 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6805   -0.1190    1.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6695   -0.9095   -0.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6695    0.8616   -0.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421   -0.9700    0.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9420    0.7937    0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7160    0.9467   -1.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7183   -0.8162   -1.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9862   -0.8784   -0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9838    0.8856   -0.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7436    1.0379   -3.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460   -0.7258   -3.4058 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0134   -0.7883   -2.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0111    0.9754   -2.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7719    1.1320   -4.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7719   -0.6316   -4.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0391   -0.6984   -3.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0390    1.0652   -3.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7991    1.2226   -6.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7990   -0.5410   -6.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0661   -0.6078   -5.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0661    1.1558   -5.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8256    1.3132   -7.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8256   -0.4504   -7.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0926   -0.5172   -6.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0926    1.2464   -6.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8521    1.4039   -9.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8522   -0.3598   -9.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1191   -0.4273   -8.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1192    1.3362   -7.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8788    1.4971  -10.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8788   -0.2664  -10.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1459   -0.3347   -9.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1459    1.4288   -9.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9059    1.5897  -11.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9059   -0.1737  -11.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1736   -0.2413  -10.9356 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1736    1.5223  -10.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9349    1.6804  -13.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9326   -0.0831  -13.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2030   -0.1529  -12.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2054    1.6090  -12.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9671    1.7740  -14.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9621    0.0094  -14.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2303   -0.0634  -13.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2358    1.6944  -13.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0844    1.8598  -16.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0853    0.0894  -16.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0469    1.9592  -17.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9738    2.3173  -16.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8713    3.2241  -18.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2147    3.9666  -15.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0841    4.4511  -18.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0330    4.8483  -16.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0715    5.6057  -18.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  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
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 10  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10 11  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  1  0  0  0  0
 11 53  1  0  0  0  0
 11 54  1  0  0  0  0
 12 13  1  0  0  0  0
 12 55  1  0  0  0  0
 12 56  1  0  0  0  0
 13 14  1  0  0  0  0
 13 57  1  0  0  0  0
 13 58  1  0  0  0  0
 14 15  1  0  0  0  0
 14 59  1  0  0  0  0
 14 60  1  0  0  0  0
 15 16  1  0  0  0  0
 15 61  1  0  0  0  0
 15 62  1  0  0  0  0
 16 17  1  0  0  0  0
 16 63  1  0  0  0  0
 16 64  1  0  0  0  0
 17 18  1  0  0  0  0
 17 65  1  0  0  0  0
 17 66  1  0  0  0  0
 18 19  1  0  0  0  0
 18 67  1  0  0  0  0
 18 68  1  0  0  0  0
 19 20  1  0  0  0  0
 19 69  1  0  0  0  0
 19 70  1  0  0  0  0
 20 21  1  0  0  0  0
 20 71  1  0  0  0  0
 20 72  1  0  0  0  0
 21 22  1  0  0  0  0
 21 73  1  0  0  0  0
 21 74  1  0  0  0  0
 22 23  1  0  0  0  0
 22 75  1  0  0  0  0
 22 76  1  0  0  0  0
 23 24  1  0  0  0  0
 23 77  1  0  0  0  0
 23 78  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 79  1  0  0  0  0
 27 80  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 81  1  0  0  0  0
 29 82  1  0  0  0  0
 30 31  1  0  0  0  0
 30 83  1  0  0  0  0
 30 84  1  0  0  0  0
 31 85  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-03-22, 671👍, 0💬