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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C(=O)O)C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=CC(=C(C(=C3)C)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C(=O)O)C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=CC(=C(C(=C3)C)O)C(=O)O

InChI

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