6,7-dimethoxy-3,4-dihydro-1H-isothiochromene-1-carboxylic acid

Systemtic Name: 6,7-dimethoxy-3,4-dihydro-1H-isothiochromene-1-carboxylic acid Openeye Name: 6,7-dimethoxyisothiochromane-1-carboxylic acid CAS Name: 6,7-dimethoxy-3,4-dihydro-1H-2-benzothiopyran-1-carboxylic acid IUPAC Name: 6,7-dimethoxy-3,4-dihydro-1H-isothiochromene-1-carboxylic acid Traditional Name: 6,7-dimethoxyisothiochroman-1-carboxylic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(SCCC2=C1)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(SCCC2=C1)C(=O)O)OC

InChI

InChI=1S/C12H14O4S/c1-15-9-5-7-3-4-17-11(12(13)14)8(7)6-10(9)16-2/h5-6,11H,3-4H2,1-2H3,(H,13,14)