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

Systemtic Name: 5-[(3-carboxy-4-oxidanyl-phenyl)-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[(3-carboxy-4-hydroxy-phenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-benzoic acid CAS Name: 5-[(3-carboxy-4-hydroxyphenyl)-(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[(3-carboxy-4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid Traditional Name: 5-[(3-carboxy-4-hydroxy-phenyl)-(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-benzoic acid Formula: C21H14O7 MolecularWeight: 378.33166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14O7/c22-14-5-1-11(2-6-14)19(12-3-7-17(23)15(9-12)20(25)26)13-4-8-18(24)16(10-13)21(27)28/h1-10,23-24H,(H,25,26)(H,27,28)