Molecule FYI-1012966

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A

Molecule Summary:

ID: FYI-1012966
Names:
InChIKey: CRIGTVCBMUKRSL-HOSRBBHYSA-N
SMILES: C/C=C/C(=O)[C@H]1C(C)=CCCC1(C)C

Received at FYIcenter.com on: 2024-11-01

Molecule ID: FYI-1012966 Edit

Molecule Structure InChIKey: CRIGTVCBMUKRSL-HOSRBBHYSA-N

Molecule Structure SMILES String: C/C=C/C(=O)[C@H]1C(C)=CCCC1(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1012966
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  2  8  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012966-3D
FYIcenter.com

 34 34  0     1  0  0  0  0  0999 V2000
   -0.8678    0.0881    1.5639 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2029   -1.1537   -0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2555    0.0814   -0.5390 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0147   -0.9721    0.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8148    0.3330    1.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9780    1.4069   -0.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4111   -2.4771   -0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652   -1.2805   -1.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    1.4974    0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9677    0.0510    0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3607    2.6184   -0.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2875   -0.0190   -0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4239   -0.0508    0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7788   -0.1231   -0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0743    0.0475   -1.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7062   -1.8134    1.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461   -0.9990    1.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7756    0.1849    0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0485    0.5813    2.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2235   -2.6089   -1.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880   -3.3375   -0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -2.5171    0.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685   -2.1086   -1.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6076   -1.4793   -2.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7563   -0.3755   -1.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    2.4619    0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700    2.4690   -2.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9598    3.5211   -0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6362    2.8058   -0.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3012   -0.0449   -1.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4008   -0.0253    1.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7315   -0.1463   -1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3727    0.7466    0.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2971   -1.0256    0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
$$$$

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2024-11-23, 780👍, 0💬