5,5-bis[[3,4-bis(oxidanyl)phenyl]carbonyl]cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 5,5-bis[[3,4-bis(oxidanyl)phenyl]carbonyl]cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 5,5-bis(3,4-dihydroxybenzoyl)cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 5,5-bis[(3,4-dihydroxyphenyl)-oxomethyl]-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 5,5-bis(3,4-dihydroxybenzoyl)cyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 5,5-diprotocatechuoylcyclohexa-1,3-diene-1-carboxylic acid Formula: C21H16O8 MolecularWeight: 396.34694

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=CC1(C(=O)C2=CC(=C(C=C2)O)O)C(=O)C3=CC(=C(C=C3)O)O)C(=O)O

Isomeric SMILES

C1C(=CC=CC1(C(=O)C2=CC(=C(C=C2)O)O)C(=O)C3=CC(=C(C=C3)O)O)C(=O)O

InChI

InChI=1S/C21H16O8/c22-14-5-3-11(8-16(14)24)18(26)21(7-1-2-13(10-21)20(28)29)19(27)12-4-6-15(23)17(25)9-12/h1-9,22-25H,10H2,(H,28,29)