Molecule FYI-1012142

A

Molecule Summary:

ID: FYI-1012142
Names:
InChIKey: KCYRZEFVHDREPK-UHFFFAOYSA-N
SMILES: CCCCCCCCCCC1OC1CCC2OC2CCC3OC3CCCCCCCCCCCCC4=CC(C)OC4=O

Received at FYIcenter.com on: 2024-08-16

Molecule ID: FYI-1012142 Edit

Molecule Structure InChIKey: KCYRZEFVHDREPK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCC1OC1CCC2OC2CCC3OC3CCCCCCCCCCCCC4=CC(C)OC4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012142
FYIcenter.com

 42 45  0  0  0  0  0  0  0  0999 V2000
    4.6330   11.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8454   11.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0579   11.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2703   11.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4827   11.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6952   11.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9076   11.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1200   11.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3325   11.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5449   11.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7574   11.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1574   11.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4574   12.9664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3698   11.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3698    9.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5822    8.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2822    7.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9822    8.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2822    6.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0698    5.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0698    4.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3698    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7698    3.0291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1574    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9449    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7325    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5200    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.6457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0045    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
 13 11  1  0  0  0  0
 14 12  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
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 40 36  1  0  0  0  0
 41 40  2  0  0  0  0
 42 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012142-3D
FYIcenter.com

106109  0  0  1  0  0  0  0  0999 V2000
    4.0361    1.6938   13.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4789    0.2431   13.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3784   -0.3533   11.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8219   -1.8081   11.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7159   -2.3941   10.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1599   -3.8461   10.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0585   -4.4382    8.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5039   -5.8909    8.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4024   -6.4800    7.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8322   -7.9367    7.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7251   -8.4565    6.1580 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1002   -9.8252    5.9876 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -8.8297    5.3765 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3136   -8.7913    5.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1887   -7.7204    5.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5440   -7.7054    5.9593 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.4337   -6.7281    5.4026 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7881   -8.1122    5.2283 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7863   -8.5765    3.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7599   -7.7554    2.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1582   -7.8757    3.4888 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.1262   -7.1223    2.7519 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2569   -8.5569    2.7238 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.0534   -9.1513    1.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0702   -8.5851    0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8713   -9.1872   -0.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8954   -8.6151   -1.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7018   -9.2134   -3.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7298   -8.6409   -4.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5376   -9.2380   -5.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5685   -8.6616   -6.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3899   -9.2486   -7.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4289   -8.6642   -8.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2420   -9.2612  -10.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2536   -8.7176  -11.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0332   -9.3110  -12.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2756   -8.8839  -13.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3391   -9.7901  -14.8417 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.0266  -10.5231  -15.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3388  -10.7416  -14.4596 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6677  -10.5621  -13.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3420  -11.2912  -12.4669 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100    2.1173   14.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9976    1.7808   12.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6642    2.2881   12.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8535   -0.3290   13.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5119    0.1758   13.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0031    0.2200   11.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3449   -0.2847   11.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1989   -2.3879   12.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8571   -1.8831   12.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3395   -1.8192    9.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6814   -2.3241    9.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5344   -4.4225   11.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1940   -3.9183   10.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6834   -3.8658    8.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0251   -4.3696    8.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764   -6.4634    9.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -5.9564    9.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0187   -5.8910    6.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3708   -6.4089    7.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2108   -8.5349    8.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8434   -8.0148    7.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8696   -8.0826    5.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9425   -8.7997    4.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7273   -9.7900    5.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3231   -8.6348    7.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7298   -6.7330    5.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2364   -7.8904    4.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5339   -7.8207    7.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6254   -8.4871    5.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7914   -8.4928    3.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0210   -9.6461    3.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4830   -6.6966    2.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6603   -8.0820    1.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2380   -7.8169    4.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0797   -8.9966    3.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0470   -8.9482    1.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1345  -10.2426    1.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0869   -8.7895    0.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9659   -7.4945    0.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8576   -8.9738   -1.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9749  -10.2781   -0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9085   -8.8295   -1.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7941   -7.5237   -1.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6903   -8.9941   -3.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8018  -10.3049   -3.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7418   -8.8579   -3.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6297   -7.5494   -4.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5256   -9.0202   -6.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6380  -10.3295   -5.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5782   -8.8798   -6.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4656   -7.5706   -6.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3786   -9.0317   -8.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4879  -10.3410   -7.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4381   -8.8776   -8.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3162   -7.5735   -8.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2218   -9.0358  -10.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3313  -10.3522  -10.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2733   -8.9218  -10.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1565   -7.6270  -11.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6592   -7.9958  -13.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6605   -9.2499  -15.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7933  -11.1744  -14.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1035  -11.1741  -15.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1925   -9.8304  -15.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  2  3  1  0  0  0  0
  2 46  1  0  0  0  0
  2 47  1  0  0  0  0
  3  4  1  0  0  0  0
  3 48  1  0  0  0  0
  3 49  1  0  0  0  0
  4  5  1  0  0  0  0
  4 50  1  0  0  0  0
  4 51  1  0  0  0  0
  5  6  1  0  0  0  0
  5 52  1  0  0  0  0
  5 53  1  0  0  0  0
  6  7  1  0  0  0  0
  6 54  1  0  0  0  0
  6 55  1  0  0  0  0
  7  8  1  0  0  0  0
  7 56  1  0  0  0  0
  7 57  1  0  0  0  0
  8  9  1  0  0  0  0
  8 58  1  0  0  0  0
  8 59  1  0  0  0  0
  9 10  1  0  0  0  0
  9 60  1  0  0  0  0
  9 61  1  0  0  0  0
 10 11  1  0  0  0  0
 10 62  1  0  0  0  0
 10 63  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 64  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 65  1  0  0  0  0
 14 15  1  0  0  0  0
 14 66  1  0  0  0  0
 14 67  1  0  0  0  0
 15 16  1  0  0  0  0
 15 68  1  0  0  0  0
 15 69  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 70  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 71  1  0  0  0  0
 19 20  1  0  0  0  0
 19 72  1  0  0  0  0
 19 73  1  0  0  0  0
 20 21  1  0  0  0  0
 20 74  1  0  0  0  0
 20 75  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 76  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 77  1  0  0  0  0
 24 25  1  0  0  0  0
 24 78  1  0  0  0  0
 24 79  1  0  0  0  0
 25 26  1  0  0  0  0
 25 80  1  0  0  0  0
 25 81  1  0  0  0  0
 26 27  1  0  0  0  0
 26 82  1  0  0  0  0
 26 83  1  0  0  0  0
 27 28  1  0  0  0  0
 27 84  1  0  0  0  0
 27 85  1  0  0  0  0
 28 29  1  0  0  0  0
 28 86  1  0  0  0  0
 28 87  1  0  0  0  0
 29 30  1  0  0  0  0
 29 88  1  0  0  0  0
 29 89  1  0  0  0  0
 30 31  1  0  0  0  0
 30 90  1  0  0  0  0
 30 91  1  0  0  0  0
 31 32  1  0  0  0  0
 31 92  1  0  0  0  0
 31 93  1  0  0  0  0
 32 33  1  0  0  0  0
 32 94  1  0  0  0  0
 32 95  1  0  0  0  0
 33 34  1  0  0  0  0
 33 96  1  0  0  0  0
 33 97  1  0  0  0  0
 34 35  1  0  0  0  0
 34 98  1  0  0  0  0
 34 99  1  0  0  0  0
 35 36  1  0  0  0  0
 35100  1  0  0  0  0
 35101  1  0  0  0  0
 36 37  2  0  0  0  0
 36 41  1  0  0  0  0
 37 38  1  0  0  0  0
 37102  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38103  1  0  0  0  0
 39104  1  0  0  0  0
 39105  1  0  0  0  0
 39106  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-09-12, 1326👍, 0💬