4-(3,5-dimethoxy-4-methyl-phenyl)-3-oxidanyl-1-oxidanylidene-7-phenylmethoxy-4H-isochromene-3-carboxylic acid

Systemtic Name: 4-(3,5-dimethoxy-4-methyl-phenyl)-3-oxidanyl-1-oxidanylidene-7-phenylmethoxy-4H-isochromene-3-carboxylic acid Openeye Name: 7-benzyloxy-4-(3,5-dimethoxy-4-methyl-phenyl)-3-hydroxy-1-oxo-isochromane-3-carboxylic acid CAS Name: 4-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-1-oxo-7-phenylmethoxy-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: 4-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-1-oxo-7-phenylmethoxy-4H-isochromene-3-carboxylic acid Traditional Name: 7-benzoxy-4-(3,5-dimethoxy-4-methyl-phenyl)-3-hydroxy-1-keto-isochroman-3-carboxylic acid Formula: C26H24O8 MolecularWeight: 464.46396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C(=O)OC2(C(=O)O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C(=O)OC2(C(=O)O)O)OC

InChI

InChI=1S/C26H24O8/c1-15-21(31-2)11-17(12-22(15)32-3)23-19-10-9-18(33-14-16-7-5-4-6-8-16)13-20(19)24(27)34-26(23,30)25(28)29/h4-13,23,30H,14H2,1-3H3,(H,28,29)