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

Systemtic Name: 5-[(E)-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-carboxy-4-oxidanyl-phenyl)methyl]-3-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[(E)-(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-[(3-carboxy-4-hydroxy-phenyl)methyl]-2-hydroxy-benzoic acid CAS Name: 5-[(E)-(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[(E)-(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid Traditional Name: 3-(3-carboxy-4-hydroxy-benzyl)-5-[(E)-(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-benzoic acid Formula: C30H20O12 MolecularWeight: 572.4726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=CC(=CC(=C2O)C(=O)O)C(=C3C=CC(=O)C(=C3)C(=O)O)C4=CC(=C(C=C4)O)C(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC2=CC(=CC(=C2O)C(=O)O)/C(=C/3\C=CC(=O)C(=C3)C(=O)O)/C4=CC(=C(C=C4)O)C(=O)O)C(=O)O)O

InChI

InChI=1S/C30H20O12/c31-22-4-1-13(8-18(22)27(35)36)7-17-9-16(12-21(26(17)34)30(41)42)25(14-2-5-23(32)19(10-14)28(37)38)15-3-6-24(33)20(11-15)29(39)40/h1-6,8-12,31-32,34H,7H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)/b25-15+