4-(3,4-dicarboxy-4-phenyl-cyclohexa-2,5-dien-1-yl)phthalic acid

Systemtic Name: 4-(3,4-dicarboxy-4-phenyl-cyclohexa-2,5-dien-1-yl)phthalic acid Openeye Name: 4-(3,4-dicarboxy-4-phenyl-cyclohexa-2,5-dien-1-yl)phthalic acid CAS Name: 4-(3,4-dicarboxy-4-phenyl-1-cyclohexa-2,5-dienyl)phthalic acid IUPAC Name: 4-(3,4-dicarboxy-4-phenylcyclohexa-2,5-dien-1-yl)phthalic acid Traditional Name: 4-(3,4-dicarboxy-4-phenyl-cyclohexa-2,5-dien-1-yl)phthalic acid Formula: C22H16O8 MolecularWeight: 408.35764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C=CC(C=C2C(=O)O)C3=CC(=C(C=C3)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2(C=CC(C=C2C(=O)O)C3=CC(=C(C=C3)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C22H16O8/c23-18(24)15-7-6-12(10-16(15)19(25)26)13-8-9-22(21(29)30,17(11-13)20(27)28)14-4-2-1-3-5-14/h1-11,13H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)