Molecule FYI-1012978

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A

Molecule Summary:

ID: FYI-1012978
Names:
InChIKey: XMGQYMWWDOXHJM-SNVBAGLBSA-N
SMILES: C=C(C)[C@@H]1CC=C(C)CC1

Received at FYIcenter.com on: 2024-11-03

Molecule ID: FYI-1012978 Edit

Molecule Structure InChIKey: XMGQYMWWDOXHJM-SNVBAGLBSA-N

Molecule Structure SMILES String: C=C(C)[C@@H]1CC=C(C)CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1012978
FYIcenter.com

 10 10  0  0  1  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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
  5  8  1  6  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012978-3D
FYIcenter.com

 26 26  0     1  0  0  0  0  0999 V2000
   -0.7240   -0.0474    0.3364 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0274   -1.2095   -0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0320    1.2813   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4516   -1.2966    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1489    0.0396    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    1.1971    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1831    0.0049   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6471    0.0028    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1354   -0.1676    1.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6124    0.1954   -1.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6128   -0.2112    1.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0914   -1.0884   -1.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5180   -2.1616   -0.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3527    2.0466    0.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3164    1.6486   -1.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9570   -1.9638   -0.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5385   -1.7568    1.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.1418    0.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0839    1.0063    0.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0538   -0.5051   -0.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9736   -0.5367    1.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9808   -1.1396    1.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9794    0.6188    1.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1810   -0.1182    0.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6726    0.2312   -1.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9292    0.3175   -2.0924 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  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  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  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  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
M  END
$$$$

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2024-11-23, 436👍, 0💬