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

Systemtic Name: 7-methoxy-3-oxidanyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Openeye Name: 3-hydroxy-7-methoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isochromane-3-carboxylic acid CAS Name: 3-hydroxy-7-methoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: 3-hydroxy-7-methoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Traditional Name: 3-hydroxy-1-keto-7-methoxy-4-(3,4,5-trimethoxyphenyl)isochroman-3-carboxylic acid Formula: C20H20O9 MolecularWeight: 404.3674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(OC2=O)(C(=O)O)O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(C(OC2=O)(C(=O)O)O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H20O9/c1-25-11-5-6-12-13(9-11)18(21)29-20(24,19(22)23)16(12)10-7-14(26-2)17(28-4)15(8-10)27-3/h5-9,16,24H,1-4H3,(H,22,23)