4-(3,5-dimethoxy-4-methyl-phenyl)-6-methoxy-3-oxidanyl-1-oxidanylidene-7-phenylmethoxy-4H-isochromene-3-carboxylic acid

Systemtic Name: 4-(3,5-dimethoxy-4-methyl-phenyl)-6-methoxy-3-oxidanyl-1-oxidanylidene-7-phenylmethoxy-4H-isochromene-3-carboxylic acid Openeye Name: 7-benzyloxy-4-(3,5-dimethoxy-4-methyl-phenyl)-3-hydroxy-6-methoxy-1-oxo-isochromane-3-carboxylic acid CAS Name: 4-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-6-methoxy-1-oxo-7-phenylmethoxy-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: 4-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-6-methoxy-1-oxo-7-phenylmethoxy-4H-isochromene-3-carboxylic acid Traditional Name: 7-benzoxy-4-(3,5-dimethoxy-4-methyl-phenyl)-3-hydroxy-1-keto-6-methoxy-isochroman-3-carboxylic acid Formula: C27H26O9 MolecularWeight: 494.48994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C2C3=CC(=C(C=C3C(=O)OC2(C(=O)O)O)OCC4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C2C3=CC(=C(C=C3C(=O)OC2(C(=O)O)O)OCC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H26O9/c1-15-20(32-2)10-17(11-21(15)33-3)24-18-12-22(34-4)23(35-14-16-8-6-5-7-9-16)13-19(18)25(28)36-27(24,31)26(29)30/h5-13,24,31H,14H2,1-4H3,(H,29,30)