Molecule FYI-1014803

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A

Molecule Summary:

ID: FYI-1014803
Names:
InChIKey: ITFCYCHHNDTEPX-OWOJBTEDSA-N
SMILES: O=C(O)/C=C/[CH+]C(=O)[O-]

Received at FYIcenter.com on: 2025-05-27

Molecule ID: FYI-1014803 Edit

Molecule Structure InChIKey: ITFCYCHHNDTEPX-OWOJBTEDSA-N

Molecule Structure SMILES String: O=C(O)/C=C/[CH+]C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1014803
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014803-3D
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.1437   -0.0211    0.4443 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -0.0041    0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9150    1.0721   -0.4221 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1841   -1.1935    0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5233   -1.1878    0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3097   -2.3856    0.4802 C   0  3  0  0  0  0  0  0  0  0  0  0
    6.8193   -2.3117    0.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3210   -1.1648    0.3381 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3850   -3.4299    0.6470 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8355    0.9134   -0.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6306   -2.1184    0.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1056   -0.2709    0.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8404   -3.3554    0.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
$$$$

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2025-06-21, 2146👍, 0💬