3-(hydroxymethyloxy)-1-oxidanylidene-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid

Systemtic Name: 3-(hydroxymethyloxy)-1-oxidanylidene-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Openeye Name: 7-benzyloxy-3-(hydroxymethoxy)-1-oxo-4-(3,4,5-trimethoxyphenyl)isochromane-3-carboxylic acid CAS Name: 3-(hydroxymethoxy)-1-oxo-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: 3-(hydroxymethoxy)-1-oxo-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Traditional Name: 7-benzoxy-1-keto-3-methyloloxy-4-(3,4,5-trimethoxyphenyl)isochroman-3-carboxylic acid Formula: C27H26O10 MolecularWeight: 510.48934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C(=O)OC2(C(=O)O)OCO

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C(=O)OC2(C(=O)O)OCO

InChI

InChI=1S/C27H26O10/c1-32-21-11-17(12-22(33-2)24(21)34-3)23-19-10-9-18(35-14-16-7-5-4-6-8-16)13-20(19)25(29)37-27(23,26(30)31)36-15-28/h4-13,23,28H,14-15H2,1-3H3,(H,30,31)