6,7-dimethoxy-3-oxidanyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid

Systemtic Name: 6,7-dimethoxy-3-oxidanyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Openeye Name: 3-hydroxy-6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isochromane-3-carboxylic acid CAS Name: 3-hydroxy-6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: 3-hydroxy-6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Traditional Name: 3-hydroxy-1-keto-6,7-dimethoxy-4-(3,4,5-trimethoxyphenyl)isochroman-3-carboxylic acid Formula: C21H22O10 MolecularWeight: 434.39338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3=CC(=C(C=C3C(=O)OC2(C(=O)O)O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C3=CC(=C(C=C3C(=O)OC2(C(=O)O)O)OC)OC

InChI

InChI=1S/C21H22O10/c1-26-13-8-11-12(9-14(13)27-2)19(22)31-21(25,20(23)24)17(11)10-6-15(28-3)18(30-5)16(7-10)29-4/h6-9,17,25H,1-5H3,(H,23,24)