5-methoxy-3,3-dimethyl-1,1,4-tris(oxidanylidene)-2H-thiochromene-6-carboxylic acid

Systemtic Name: 5-methoxy-3,3-dimethyl-1,1,4-tris(oxidanylidene)-2H-thiochromene-6-carboxylic acid Openeye Name: 5-methoxy-3,3-dimethyl-1,1,4-trioxo-2H-thiochromene-6-carboxylic acid CAS Name: 5-methoxy-3,3-dimethyl-1,1,4-trioxo-2H-1-benzothiopyran-6-carboxylic acid IUPAC Name: 5-methoxy-3,3-dimethyl-1,1,4-trioxo-2H-thiochromene-6-carboxylic acid Traditional Name: 1,1,4-triketo-5-methoxy-3,3-dimethyl-2H-thiochromene-6-carboxylic acid Formula: C13H14O6S MolecularWeight: 298.31166

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CS(=O)(=O)C2=C(C1=O)C(=C(C=C2)C(=O)O)OC)C

Isomeric SMILES

CC1(CS(=O)(=O)C2=C(C1=O)C(=C(C=C2)C(=O)O)OC)C

InChI

InChI=1S/C13H14O6S/c1-13(2)6-20(17,18)8-5-4-7(12(15)16)10(19-3)9(8)11(13)14/h4-5H,6H2,1-3H3,(H,15,16)