benzoic acid; 2-(3,5-dimethoxy-4-oxidanyl-phenyl)chromenylium-3,5,7-triol

Systemtic Name: benzoic acid; 2-(3,5-dimethoxy-4-oxidanyl-phenyl)chromenylium-3,5,7-triol Openeye Name: benzoic acid; 2-(4-hydroxy-3,5-dimethoxy-phenyl)chromenylium-3,5,7-triol CAS Name: benzoic acid; 2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium-3,5,7-triol IUPAC Name: benzoic acid; 2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol Traditional Name: benzoic acid; 2-(4-hydroxy-3,5-dimethoxy-phenyl)-1-benzopyrylium-3,5,7-triol Formula: C24H21O9+ MolecularWeight: 453.41814

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H14O7.C7H6O2/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17;8-7(9)6-4-2-1-3-5-6/h3-7H,1-2H3,(H3-,18,19,20,21);1-5H,(H,8,9)/p+1