6,7-dimethyl-4-oxidanylidene-1H-isothiochromene-1-carboxylic acid

Systemtic Name: 6,7-dimethyl-4-oxidanylidene-1H-isothiochromene-1-carboxylic acid Openeye Name: 6,7-dimethyl-4-oxo-isothiochromane-1-carboxylic acid CAS Name: 6,7-dimethyl-4-oxo-1H-2-benzothiopyran-1-carboxylic acid IUPAC Name: 6,7-dimethyl-4-oxo-1H-isothiochromene-1-carboxylic acid Traditional Name: 4-keto-6,7-dimethyl-isothiochroman-1-carboxylic acid Formula: C12H12O3S MolecularWeight: 236.28688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=O)CSC(C2=C1)C(=O)O)C

Isomeric SMILES

CC1=C(C=C2C(=O)CSC(C2=C1)C(=O)O)C

InChI

InChI=1S/C12H12O3S/c1-6-3-8-9(4-7(6)2)11(12(14)15)16-5-10(8)13/h3-4,11H,5H2,1-2H3,(H,14,15)