5-[(Z)-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-methyl-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(Z)-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-methyl-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[(Z)-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(4-hydroxy-3-methyl-phenyl)methyl]-2-hydroxy-benzoic acid CAS Name: 5-[(Z)-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)-(4-hydroxy-3-methylphenyl)methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[(Z)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)-(4-hydroxy-3-methylphenyl)methyl]-2-hydroxybenzoic acid Traditional Name: 5-[(Z)-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-(4-hydroxy-3-methyl-phenyl)methyl]-2-hydroxy-benzoic acid Formula: C22H16O7 MolecularWeight: 392.35824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)/C(=C/2\C=CC(=O)C(=C2)C(=O)O)/C3=CC(=C(C=C3)O)C(=O)O)O

InChI

InChI=1S/C22H16O7/c1-11-8-12(2-5-17(11)23)20(13-3-6-18(24)15(9-13)21(26)27)14-4-7-19(25)16(10-14)22(28)29/h2-10,23-24H,1H3,(H,26,27)(H,28,29)/b20-14-