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

Systemtic Name: (3S,4S)-6,7-dimethoxy-1-oxidanylidene-3-pyridin-2-yl-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4S)-6,7-dimethoxy-1-oxo-3-(2-pyridyl)isochromane-4-carboxylic acid CAS Name: (3S,4S)-6,7-dimethoxy-1-oxo-3-(2-pyridinyl)-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4S)-6,7-dimethoxy-1-oxo-3-pyridin-2-yl-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4S)-1-keto-6,7-dimethoxy-3-(2-pyridyl)isochroman-4-carboxylic acid Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(C(OC2=O)C3=CC=CC=N3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)[C@@H]([C@H](OC2=O)C3=CC=CC=N3)C(=O)O)OC

InChI

InChI=1S/C17H15NO6/c1-22-12-7-9-10(8-13(12)23-2)17(21)24-15(14(9)16(19)20)11-5-3-4-6-18-11/h3-8,14-15H,1-2H3,(H,19,20)/t14-,15+/m0/s1