(3S,4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid

Systemtic Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-isochromane-4-carboxylic acid CAS Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4S)-3-(1,3-benzodioxol-5-yl)-1-keto-6,7-dimethoxy-isochroman-4-carboxylic acid Formula: C19H16O8 MolecularWeight: 372.32554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(C(OC2=O)C3=CC4=C(C=C3)OCO4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)[C@@H]([C@H](OC2=O)C3=CC4=C(C=C3)OCO4)C(=O)O)OC

InChI

InChI=1S/C19H16O8/c1-23-13-6-10-11(7-14(13)24-2)19(22)27-17(16(10)18(20)21)9-3-4-12-15(5-9)26-8-25-12/h3-7,16-17H,8H2,1-2H3,(H,20,21)/t16-,17+/m0/s1