(3S,4S)-3-(2,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid

Systemtic Name: (3S,4S)-3-(2,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4S)-3-(2,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-isochromane-4-carboxylic acid CAS Name: (3S,4S)-3-(2,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4S)-3-(2,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4S)-3-(2,4-dimethoxyphenyl)-1-keto-6,7-dimethoxy-isochroman-4-carboxylic acid Formula: C20H20O8 MolecularWeight: 388.368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2C(C3=CC(=C(C=C3C(=O)O2)OC)OC)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@@H]2[C@H](C3=CC(=C(C=C3C(=O)O2)OC)OC)C(=O)O)OC

InChI

InChI=1S/C20H20O8/c1-24-10-5-6-11(14(7-10)25-2)18-17(19(21)22)12-8-15(26-3)16(27-4)9-13(12)20(23)28-18/h5-9,17-18H,1-4H3,(H,21,22)/t17-,18+/m0/s1