Molecule FYI-1015015

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Molecule Summary:

ID: FYI-1015015
Names:
InChIKey: FAMPSKZZVDUYOS-KXWHQPPKSA-N
SMILES: C/C1=C/CC/C(C)=C\\CC(C)(C)/C=C\\C1

Received at FYIcenter.com on: 2025-06-14

Molecule ID: FYI-1015015 Edit

Molecule Structure InChIKey: FAMPSKZZVDUYOS-KXWHQPPKSA-N

Molecule Structure SMILES String: C/C1=C/CC/C(C)=C\CC(C)(C)/C=C\C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015015
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    6.1998    5.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9874    5.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9742    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5994    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2997    5.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4877    4.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210    3.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210    2.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3654    1.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7591    1.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8595    2.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3174    3.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1005    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1005    7.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2879    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015015-3D
FYIcenter.com

 39 39  0     0  0  0  0  0  0999 V2000
   -2.3513   -0.0083   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3547    1.0912   -0.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7545   -1.0776    0.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5383    0.6667    0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9288   -0.7227   -1.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4356    1.6298    0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8686    1.9416    0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6536    1.8862   -0.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6642   -1.8522    0.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9806    0.4971   -1.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3293   -1.9421   -0.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7353   -1.5625   -0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251   -0.5031   -0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6445    2.4441    1.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3905   -2.4883    0.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9300    1.9400   -0.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7847    0.7196   -1.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3206   -1.2506    1.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3048   -0.0652    0.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2194    1.1756    1.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0228    1.4117   -0.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4371   -0.0068   -2.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1521   -1.2129   -1.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6613   -1.4890   -1.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8936    1.7732    1.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1177    2.4616   -1.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002    2.4266   -0.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4889   -2.5541    1.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7932    0.6085   -2.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1428    0.1268   -2.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3476   -2.9816   -0.7967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0056   -1.3664   -1.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4308   -0.3322   -0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5092    1.7998    1.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0422    2.4632    2.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0021    3.4628    1.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3518   -3.5217    0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8855   -2.4357    1.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4447   -2.2414    1.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  2  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  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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2025-06-18, 722👍, 0💬