6-oxidanylidene-5-sulfanyl-heptanoic acid

Systemtic Name: 6-oxidanylidene-5-sulfanyl-heptanoic acid Openeye Name: 6-oxo-5-sulfanyl-heptanoic acid CAS Name: 5-mercapto-6-oxoheptanoic acid IUPAC Name: 6-oxo-5-sulfanylheptanoic acid Traditional Name: 6-keto-5-mercapto-enanthic acid Formula: C7H12O3S MolecularWeight: 176.23338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCC(=O)O)S

Isomeric SMILES

CC(=O)C(CCCC(=O)O)S

InChI

InChI=1S/C7H12O3S/c1-5(8)6(11)3-2-4-7(9)10/h6,11H,2-4H2,1H3,(H,9,10)