2-methyl-4-(2-oxidanylideneethylsulfanyl)butanoic acid

Systemtic Name: 2-methyl-4-(2-oxidanylideneethylsulfanyl)butanoic acid Openeye Name: 2-methyl-4-(2-oxoethylsulfanyl)butanoic acid CAS Name: 2-methyl-4-(2-oxoethylthio)butanoic acid IUPAC Name: 2-methyl-4-(2-oxoethylsulfanyl)butanoic acid Traditional Name: 4-(2-ketoethylthio)-2-methyl-butyric acid Formula: C7H12O3S MolecularWeight: 176.23338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCSCC=O)C(=O)O

Isomeric SMILES

CC(CCSCC=O)C(=O)O

InChI

InChI=1S/C7H12O3S/c1-6(7(9)10)2-4-11-5-3-8/h3,6H,2,4-5H2,1H3,(H,9,10)