7,8-dimethoxy-1-oxidanylidene-isothiochromene-3-carboxylic acid

Systemtic Name: 7,8-dimethoxy-1-oxidanylidene-isothiochromene-3-carboxylic acid Openeye Name: 7,8-dimethoxy-1-oxo-isothiochromene-3-carboxylic acid CAS Name: 7,8-dimethoxy-1-oxo-2-benzothiopyran-3-carboxylic acid IUPAC Name: 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylic acid Traditional Name: 1-keto-7,8-dimethoxy-isothiochromene-3-carboxylic acid Formula: C12H10O5S MolecularWeight: 266.2698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)O)OC

InChI

InChI=1S/C12H10O5S/c1-16-7-4-3-6-5-8(11(13)14)18-12(15)9(6)10(7)17-2/h3-5H,1-2H3,(H,13,14)