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

Systemtic Name: 6,7-diethoxy-3-oxidanyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Openeye Name: 6,7-diethoxy-3-hydroxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isochromane-3-carboxylic acid CAS Name: 6,7-diethoxy-3-hydroxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid IUPAC Name: 6,7-diethoxy-3-hydroxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-4H-isochromene-3-carboxylic acid Traditional Name: 6,7-diethoxy-3-hydroxy-1-keto-4-(3,4,5-trimethoxyphenyl)isochroman-3-carboxylic acid Formula: C23H26O10 MolecularWeight: 462.44654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(C(OC2=O)(C(=O)O)O)C3=CC(=C(C(=C3)OC)OC)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(C(OC2=O)(C(=O)O)O)C3=CC(=C(C(=C3)OC)OC)OC)OCC

InChI

InChI=1S/C23H26O10/c1-6-31-15-10-13-14(11-16(15)32-7-2)21(24)33-23(27,22(25)26)19(13)12-8-17(28-3)20(30-5)18(9-12)29-4/h8-11,19,27H,6-7H2,1-5H3,(H,25,26)