5-(3-oxidanylidene-2,4,5-triphenyl-cyclopenta-1,4-dien-1-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(3-oxidanylidene-2,4,5-triphenyl-cyclopenta-1,4-dien-1-yl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(3-oxo-2,4,5-triphenyl-cyclopenta-1,4-dien-1-yl)benzene-1,3-dicarboxylic acid CAS Name: 5-(3-oxo-2,4,5-triphenyl-1-cyclopenta-1,4-dienyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(3-keto-2,4,5-triphenyl-cyclopenta-1,4-dien-1-yl)isophthalic acid Formula: C31H20O5 MolecularWeight: 472.4875

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC(=CC(=C3)C(=O)O)C(=O)O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC(=CC(=C3)C(=O)O)C(=O)O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H20O5/c32-29-27(20-12-6-2-7-13-20)25(19-10-4-1-5-11-19)26(28(29)21-14-8-3-9-15-21)22-16-23(30(33)34)18-24(17-22)31(35)36/h1-18H,(H,33,34)(H,35,36)