Molecule FYI-1002464

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A

Molecule Summary:

ID: FYI-1002464
Names:
InChIKey: HGCIXCUEYOPUTN-UHFFFAOYSA-N
SMILES: C1=CCCCC1

Received at FYIcenter.com on: 2023-04-01

Molecule ID: FYI-1002464 Edit

Molecule Structure InChIKey: HGCIXCUEYOPUTN-UHFFFAOYSA-N

Molecule Structure SMILES String: C1=CCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002464
FYIcenter.com

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002464-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
    0.6964   -1.2528   -0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7059   -1.2475    0.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4853   -0.0085    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4851    0.0027   -0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6721    1.2505    0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6628    1.2555   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6205   -1.2901   -1.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2373   -2.1536    0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6303   -1.2847    1.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2535   -2.1442   -0.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3597    0.0936   -0.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8605   -0.1328    1.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3593    0.1112    0.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8604   -0.1189   -1.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2038    2.1959    0.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1873    2.2049   -0.1154 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  2  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
M  END
$$$$

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2023-04-13, 1681👍, 0💬