1-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6-methoxy-4,7-bis(oxidanyl)naphthalene-2-carboxylic acid

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6-methoxy-4,7-bis(oxidanyl)naphthalene-2-carboxylic acid Openeye Name: 1-(3,4-dimethoxyphenyl)-4,7-dihydroxy-3-(hydroxymethyl)-6-methoxy-naphthalene-2-carboxylic acid CAS Name: 1-(3,4-dimethoxyphenyl)-4,7-dihydroxy-3-(hydroxymethyl)-6-methoxy-2-naphthalenecarboxylic acid IUPAC Name: 1-(3,4-dimethoxyphenyl)-4,7-dihydroxy-3-(hydroxymethyl)-6-methoxynaphthalene-2-carboxylic acid Traditional Name: 1-(3,4-dimethoxyphenyl)-4,7-dihydroxy-6-methoxy-3-methylol-2-naphthoic acid Formula: C21H20O8 MolecularWeight: 400.3787

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=C(C3=CC(=C(C=C32)O)OC)O)CO)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=C(C3=CC(=C(C=C32)O)OC)O)CO)C(=O)O)OC

InChI

InChI=1S/C21H20O8/c1-27-15-5-4-10(6-17(15)29-3)18-11-7-14(23)16(28-2)8-12(11)20(24)13(9-22)19(18)21(25)26/h4-8,22-24H,9H2,1-3H3,(H,25,26)