Molecule FYI-1002068

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Molecule Summary:

ID: FYI-1002068
Names: CYCLOHEXANE;
InChIKey: XDTMQSROBMDMFD-UHFFFAOYSA-N
SMILES: C1CCCCC1

Received at FYIcenter.com on: 2023-01-25

Molecule ID: FYI-1002068 Edit

Molecule Names: CYCLOHEXANE;

Molecule Structure InChIKey: XDTMQSROBMDMFD-UHFFFAOYSA-N

Molecule Structure SMILES String: C1CCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002068
FYIcenter.com

  6  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
    2.4249    2.1000    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
  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
  6  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002068-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
   -1.2838   -0.6910    0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2404    0.7662   -0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0435   -1.4573   -0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0435    1.4573    0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2404   -0.7663    0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2838    0.6911   -0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1821   -1.1746   -0.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3588   -0.7314    1.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3129    0.8110   -1.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1083    1.3025    0.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0460   -1.5425   -1.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0739   -2.4771    0.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0459    1.5425    1.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0738    2.4771   -0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3129   -0.8111    1.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083   -1.3026   -0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1821    1.1746    0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3590    0.7315   -1.3194 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  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
M  END
$$$$

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2023-01-25, 2265👍, 0💬