3-oxidanyl-1-oxidanylidene-8-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid

Systemtic Name: 3-oxidanyl-1-oxidanylidene-8-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Openeye Name: 8-benzyloxy-3-hydroxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isochromane-3-carboxylic acid CAS Name: 3-hydroxy-1-oxo-8-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: 3-hydroxy-1-oxo-8-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Traditional Name: 8-benzoxy-3-hydroxy-1-keto-4-(3,4,5-trimethoxyphenyl)isochroman-3-carboxylic acid Formula: C26H24O9 MolecularWeight: 480.46336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24O9/c1-31-19-12-16(13-20(32-2)23(19)33-3)22-17-10-7-11-18(34-14-15-8-5-4-6-9-15)21(17)24(27)35-26(22,30)25(28)29/h4-13,22,30H,14H2,1-3H3,(H,28,29)