Molecule FYI-1004083

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A

Molecule Summary:

ID: FYI-1004083
Names:
InChIKey: CSFWPUWCSPOLJW-UHFFFAOYSA-N
SMILES: O=c1cc(O)c(=O)c2ccccc12

Received at FYIcenter.com on: 2023-08-10

Molecule ID: FYI-1004083 Edit

Molecule Structure InChIKey: CSFWPUWCSPOLJW-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1cc(O)c(=O)c2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1004083
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004083-3D
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.1849   -2.8635   -0.0351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1537   -1.6875    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5839   -1.3339    0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0076   -0.0663    0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3534    0.2536    0.0977 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0315    1.0660   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3986    2.2340   -0.0797 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4080    0.7347   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3546    1.7680    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7174    1.4682    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400    0.1391    0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000   -0.8927    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8317   -0.5928    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2643   -2.1757    0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8846   -0.5586    0.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0321    2.8084   -0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4494    2.2731    0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2026   -0.0938    0.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.9281    0.0228 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 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
$$$$

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2023-09-05, 2176👍, 0💬