Molecule FYI-1009604

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A

Molecule Summary:

ID: FYI-1009604
Names:
InChIKey: WCEIQUQVIOGRBF-UHFFFAOYSA-N
SMILES: CC2(C)CCCC4(C)C1CC3C(C12)C34C

Received at FYIcenter.com on: 2024-05-16

Molecule ID: FYI-1009604 Edit

Molecule Structure InChIKey: WCEIQUQVIOGRBF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2(C)CCCC4(C)C1CC3C(C12)C34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009604
FYIcenter.com

 15 18  0  0  0  0  0  0  0  0999 V2000
    4.5689    3.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3565    3.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4884    4.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2582    4.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5922    3.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1492    2.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0684    2.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793    2.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8229    1.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6523    1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3794    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310    1.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5810    0.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1752    4.9264    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
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009604-3D
FYIcenter.com

 39 42  0  0  1  0  0  0  0  0999 V2000
    0.9054   -0.1566   -0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033    0.0724    0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0594    0.5455   -1.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759   -1.2658    0.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6404   -1.8824    1.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4264   -1.3540    3.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3179    0.1292    3.3976 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1143    0.2951    4.7186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7556    1.1800    2.2811 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4308    2.5501    2.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0076    2.1762    3.3762 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4794    1.3371    2.2687 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5760    1.2016    1.2262 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9046    0.6815    3.5498 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8537   -0.0080    4.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7787   -0.9009   -0.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4294    0.7708   -0.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3416   -0.5187    0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9305   -0.2011   -1.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1335    0.7157   -1.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6105    1.4787   -1.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1682   -1.1543    0.5226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8474   -1.9872   -0.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8403   -2.9606    1.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5663   -1.7929    2.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4877   -1.5950    2.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1154   -1.9556    3.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1909    0.2122    4.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8355   -0.4800    5.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9230    1.2398    5.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7671    1.0909    1.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4636    3.4023    2.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0708    2.7678    3.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037    2.8817    3.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4608    1.4806    1.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106    2.1536    0.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1727    0.7066    4.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2848   -0.6388    5.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2536   -0.6532    3.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
$$$$

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2024-05-16, 183👍, 0💬