5,8-dimethyl-4-oxidanylidene-2,3-dihydrothiochromene-6-carboxylic acid

Systemtic Name: 5,8-dimethyl-4-oxidanylidene-2,3-dihydrothiochromene-6-carboxylic acid Openeye Name: 5,8-dimethyl-4-oxo-thiochromane-6-carboxylic acid CAS Name: 5,8-dimethyl-4-oxo-2,3-dihydro-1-benzothiopyran-6-carboxylic acid IUPAC Name: 5,8-dimethyl-4-oxo-2,3-dihydrothiochromene-6-carboxylic acid Traditional Name: 4-keto-5,8-dimethyl-thiochroman-6-carboxylic acid Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1)C(=O)O)C)C(=O)CCS2

Isomeric SMILES

CC1=C2C(=C(C(=C1)C(=O)O)C)C(=O)CCS2

InChI

InChI=1S/C12H12O3S/c1-6-5-8(12(14)15)7(2)10-9(13)3-4-16-11(6)10/h5H,3-4H2,1-2H3,(H,14,15)