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

Systemtic Name: 4-[(3-carboxy-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(4-carboxy-2-methyl-3-oxidanyl-phenyl)methyl]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 4-[(4-carboxy-3-hydroxy-2-methyl-phenyl)-(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-3-methyl-benzoic acid CAS Name: 4-[(4-carboxy-3-hydroxy-2-methylphenyl)-(3-carboxy-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 4-[(4-carboxy-3-hydroxy-2-methylphenyl)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-3-methylbenzoic acid Traditional Name: 4-[(4-carboxy-3-hydroxy-2-methyl-phenyl)-(3-carboxy-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-3-methyl-benzoic acid Formula: C25H20O9 MolecularWeight: 464.4209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20O9/c1-10-8-13(9-18(20(10)26)25(33)34)19(14-4-6-16(23(29)30)21(27)11(14)2)15-5-7-17(24(31)32)22(28)12(15)3/h4-9,27-28H,1-3H3,(H,29,30)(H,31,32)(H,33,34)