benzoic acid; 2-[3-methoxy-4,5-bis(oxidanyl)phenyl]chromenylium-3,5,7-triol

Systemtic Name: benzoic acid; 2-[3-methoxy-4,5-bis(oxidanyl)phenyl]chromenylium-3,5,7-triol Openeye Name: benzoic acid; 2-(3,4-dihydroxy-5-methoxy-phenyl)chromenylium-3,5,7-triol CAS Name: benzoic acid; 2-(3,4-dihydroxy-5-methoxyphenyl)-1-benzopyrylium-3,5,7-triol IUPAC Name: benzoic acid; 2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol Traditional Name: benzoic acid; 2-(3,4-dihydroxy-5-methoxy-phenyl)-1-benzopyrylium-3,5,7-triol Formula: C23H19O9+ MolecularWeight: 439.39156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C16H12O7.C7H6O2/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;8-7(9)6-4-2-1-3-5-6/h2-6H,1H3,(H4-,17,18,19,20,21);1-5H,(H,8,9)/p+1