Molecule FYI-1002347

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Molecule Summary:

ID: FYI-1002347
Names: TOLUENE;
InChIKey: YXFVVABEGXRONW-UHFFFAOYSA-N
SMILES: Cc1ccccc1

Received at FYIcenter.com on: 2023-03-03

Molecule ID: FYI-1002347 Edit

Molecule Names: TOLUENE;

Molecule Structure InChIKey: YXFVVABEGXRONW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002347
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.3601    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1476    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1476    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5725    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5725    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  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  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002347-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
   -0.9825    0.0000    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2850    1.2079    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2852   -1.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4741    0.0001   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1099    1.2080   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1097   -1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8072    0.0000   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8169    2.1557   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -2.1556   -0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8694   -0.8801    0.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8694    0.8808    0.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8495   -0.0004   -1.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531    2.1484   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6529   -2.1485   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8933   -0.0001   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-04, 1929👍, 0💬