3,4-bis(oxidanyl)benzoic acid; methyl 3,4-bis(oxidanyl)benzoate

Systemtic Name: 3,4-bis(oxidanyl)benzoic acid; methyl 3,4-bis(oxidanyl)benzoate Openeye Name: 3,4-dihydroxybenzoic acid; methyl 3,4-dihydroxybenzoate CAS Name: 3,4-dihydroxybenzoic acid; 3,4-dihydroxybenzoic acid methyl ester IUPAC Name: 3,4-dihydroxybenzoic acid; methyl 3,4-dihydroxybenzoate Traditional Name: 3,4-dihydroxybenzoic acid methyl ester; protocatechuic acid Formula: C15H14O8 MolecularWeight: 322.26686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)O)O.C1=CC(=C(C=C1C(=O)O)O)O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)O)O.C1=CC(=C(C=C1C(=O)O)O)O

InChI

InChI=1S/C8H8O4.C7H6O4/c1-12-8(11)5-2-3-6(9)7(10)4-5;8-5-2-1-4(7(10)11)3-6(5)9/h2-4,9-10H,1H3;1-3,8-9H,(H,10,11)