2-methyl-4-oxidanylidene-thiane-3-carboxylic acid

Systemtic Name: 2-methyl-4-oxidanylidene-thiane-3-carboxylic acid Openeye Name: 2-methyl-4-oxo-tetrahydrothiopyran-3-carboxylic acid CAS Name: 2-methyl-4-oxo-3-thianecarboxylic acid IUPAC Name: 2-methyl-4-oxothiane-3-carboxylic acid Traditional Name: 4-keto-2-methyl-tetrahydrothiopyran-3-carboxylic acid Formula: C7H10O3S MolecularWeight: 174.2175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)CCS1)C(=O)O

Isomeric SMILES

CC1C(C(=O)CCS1)C(=O)O

InChI

InChI=1S/C7H10O3S/c1-4-6(7(9)10)5(8)2-3-11-4/h4,6H,2-3H2,1H3,(H,9,10)