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

Systemtic Name: 6-methoxy-3-oxidanyl-1-oxidanylidene-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Openeye Name: 7-benzyloxy-3-hydroxy-6-methoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isochromane-3-carboxylic acid CAS Name: 3-hydroxy-6-methoxy-1-oxo-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: 3-hydroxy-6-methoxy-1-oxo-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Traditional Name: 7-benzoxy-3-hydroxy-1-keto-6-methoxy-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=CC(=C(C=C3C(=O)OC2(C(=O)O)O)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C3=CC(=C(C=C3C(=O)OC2(C(=O)O)O)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H26O10/c1-32-19-12-17-18(13-20(19)36-14-15-8-6-5-7-9-15)25(28)37-27(31,26(29)30)23(17)16-10-21(33-2)24(35-4)22(11-16)34-3/h5-13,23,31H,14H2,1-4H3,(H,29,30)