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

Systemtic Name: (3S,4S)-6,7-dimethoxy-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4S)-6,7-dimethoxy-3-(4-methoxyphenyl)-1-oxo-isochromane-4-carboxylic acid CAS Name: (3S,4S)-6,7-dimethoxy-3-(4-methoxyphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4S)-6,7-dimethoxy-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4S)-1-keto-6,7-dimethoxy-3-(4-methoxyphenyl)isochroman-4-carboxylic acid Formula: C19H18O7 MolecularWeight: 358.34202

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O7/c1-23-11-6-4-10(5-7-11)17-16(18(20)21)12-8-14(24-2)15(25-3)9-13(12)19(22)26-17/h4-9,16-17H,1-3H3,(H,20,21)/t16-,17+/m0/s1