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

Systemtic Name: 3-[(E)-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[(E)-(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-benzoic acid CAS Name: 3-[(E)-(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxybenzoic acid IUPAC Name: 3-[(E)-(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid Traditional Name: 3-[(E)-(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-benzoic acid Formula: C22H14O9 MolecularWeight: 422.34116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14O9/c23-16-6-4-10(8-14(16)21(28)29)18(11-5-7-17(24)15(9-11)22(30)31)12-2-1-3-13(19(12)25)20(26)27/h1-9,23,25H,(H,26,27)(H,28,29)(H,30,31)/b18-11+