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

Systemtic Name: 5-[(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)-(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-yl)methyl]-2-hydroxy-benzoic acid CAS Name: 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienyl)methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-yl)methyl]-2-hydroxybenzoic acid Traditional Name: 5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-yl)methyl]-2-hydroxy-benzoic acid Formula: C22H16O9 MolecularWeight: 424.35704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1C(C2=CC(=C(C=C2)O)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=O)C(=CC1C(C2=CC(=C(C=C2)O)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O

InChI

InChI=1S/C22H16O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-10,19,24-25H,(H,26,27)(H,28,29)(H,30,31)