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

Systemtic Name: 4-(3,5-dimethoxy-4-methyl-phenyl)-1-oxidanylidene-7-phenylmethoxy-isochromene-3-carboxylic acid Openeye Name: 7-benzyloxy-4-(3,5-dimethoxy-4-methyl-phenyl)-1-oxo-isochromene-3-carboxylic acid CAS Name: 4-(3,5-dimethoxy-4-methylphenyl)-1-oxo-7-phenylmethoxy-2-benzopyran-3-carboxylic acid IUPAC Name: 4-(3,5-dimethoxy-4-methylphenyl)-1-oxo-7-phenylmethoxyisochromene-3-carboxylic acid Traditional Name: 7-benzoxy-4-(3,5-dimethoxy-4-methyl-phenyl)-1-keto-isochromene-3-carboxylic acid Formula: C26H22O7 MolecularWeight: 446.44868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C2=C(OC(=O)C3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C2=C(OC(=O)C3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C26H22O7/c1-15-21(30-2)11-17(12-22(15)31-3)23-19-10-9-18(32-14-16-7-5-4-6-8-16)13-20(19)26(29)33-24(23)25(27)28/h4-13H,14H2,1-3H3,(H,27,28)