Molecule FYI-1005508

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A

Molecule Summary:

ID: FYI-1005508
Names:
InChIKey: HICYDYJTCDBHMZ-UHFFFAOYSA-N
SMILES: CC1=CCC2C3C1C2(C)CCCC3(C)C

Received at FYIcenter.com on: 2023-11-01

Molecule ID: FYI-1005508 Edit

Molecule Structure InChIKey: HICYDYJTCDBHMZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1=CCC2C3C1C2(C)CCCC3(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005508
FYIcenter.com

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.7239    5.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4434    4.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7209    4.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3446    3.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3344    1.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9814    2.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7534    2.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1065    1.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3639    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6237    0.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2424    1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7541    2.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9524    2.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9695    3.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  8  5  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
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005508-3D
FYIcenter.com

 39 41  0     1  0  0  0  0  0999 V2000
   -0.4746   -1.1798   -0.1317 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3746    0.7405    0.3801 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2567   -0.4361    1.2263 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6472    0.2721   -0.7281 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8778    0.8289    0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5937   -2.1226   -0.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6032   -0.0185    1.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0288    0.8097   -0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3777   -0.3278   -0.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7667   -2.0091   -0.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0257   -1.7240   -0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4677    0.6547    0.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6773    0.9057    1.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1109    2.1470   -0.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7926    1.4594   -1.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1116    1.7159    0.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3980   -0.9283    1.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3366    0.4037   -1.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4814   -2.2157   -1.7646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4593   -3.1333   -0.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4197    0.6855    2.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1197   -0.8863    2.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4713   -0.2597   -0.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034   -0.2119   -1.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9264   -2.3594   -1.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6748   -2.9033    0.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7112   -1.5558    0.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2238   -1.8275    0.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6901   -2.4422   -0.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4484    1.0109    1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7491    1.0237    1.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3537    1.7585    1.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5489    0.0107    1.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8112    3.0178   -0.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1672    2.2712   -0.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5270    2.1725   -1.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2419    2.3231   -1.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7746    1.8081   -1.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9486    0.7528   -2.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  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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2023-11-09, 1673👍, 0💬