6-ethanoyl-9-oxidanylidene-2-sulfanyl-decanoic acid

Systemtic Name: 6-ethanoyl-9-oxidanylidene-2-sulfanyl-decanoic acid Openeye Name: 6-acetyl-9-oxo-2-sulfanyl-decanoic acid CAS Name: 6-acetyl-2-mercapto-9-oxodecanoic acid IUPAC Name: 6-acetyl-9-oxo-2-sulfanyldecanoic acid Traditional Name: 6-acetyl-9-keto-2-mercapto-capric acid Formula: C12H20O4S MolecularWeight: 260.3498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O4S/c1-8(13)6-7-10(9(2)14)4-3-5-11(17)12(15)16/h10-11,17H,3-7H2,1-2H3,(H,15,16)