6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylic acid

Systemtic Name: 6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylic acid Openeye Name: 6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid CAS Name: 6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid IUPAC Name: 6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid Traditional Name: 4-keto-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophene-1-carboxylic acid Formula: C12H14O3S2 MolecularWeight: 270.36776

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC)C(=O)O)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC)C(=O)O)C

InChI

InChI=1S/C12H14O3S2/c1-12(2)4-6-8(7(13)5-12)11(16-3)17-9(6)10(14)15/h4-5H2,1-3H3,(H,14,15)