Molecule FYI-1016660

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Molecule Summary:

ID: FYI-1016660
Names:
InChIKey: IQVAERDLDAZARL-MRVPVSSYSA-N
SMILES: C[C@H](C=O)c1ccccc1

Received at FYIcenter.com on: 2026-02-09

Molecule ID: FYI-1016660 Edit

Molecule Structure InChIKey: IQVAERDLDAZARL-MRVPVSSYSA-N

Molecule Structure SMILES String: C[C@H](C=O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016660
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    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
    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
    3.4378    3.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5678    2.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6971    3.0675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3465    4.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  7 10  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016660-3D
FYIcenter.com

 20 20  0     1  0  0  0  0  0999 V2000
    1.9642    1.3958    1.1174 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4979   -0.2253   -0.6412 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0441   -0.1231   -0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0438   -1.6611   -0.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5252   -0.9779    0.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7461    0.8273   -0.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863    0.6552    0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8846   -0.8824    0.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1055    0.9231   -0.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6749    0.0683    0.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6563    0.1142   -1.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1333   -2.0135    0.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0526   -1.7045   -0.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172   -2.3638   -1.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0595   -1.7175    1.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3152    1.5013   -1.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4658    0.6141    0.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -1.5448    1.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7206    1.6638   -1.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7331    0.1436    0.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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 11  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  2  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

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