(3S,4S)-3-(3,4-dimethoxyphenyl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid

Systemtic Name: (3S,4S)-3-(3,4-dimethoxyphenyl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4S)-3-(3,4-dimethoxyphenyl)-1-oxo-isochromane-4-carboxylic acid CAS Name: (3S,4S)-3-(3,4-dimethoxyphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4S)-3-(3,4-dimethoxyphenyl)-1-oxo-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4S)-3-(3,4-dimethoxyphenyl)-1-keto-isochroman-4-carboxylic acid Formula: C18H16O6 MolecularWeight: 328.31604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O6/c1-22-13-8-7-10(9-14(13)23-2)16-15(17(19)20)11-5-3-4-6-12(11)18(21)24-16/h3-9,15-16H,1-2H3,(H,19,20)/t15-,16+/m0/s1