5-oxidanylidene-4-(phenylsulfinyl)decanoic acid

Systemtic Name: 5-oxidanylidene-4-(phenylsulfinyl)decanoic acid Openeye Name: 4-(benzenesulfinyl)-5-oxo-decanoic acid CAS Name: 4-(benzenesulfinyl)-5-oxodecanoic acid IUPAC Name: 4-(benzenesulfinyl)-5-oxodecanoic acid Traditional Name: 4-(benzenesulfinyl)-5-keto-capric acid Formula: C16H22O4S MolecularWeight: 310.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(CCC(=O)O)S(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCC(=O)C(CCC(=O)O)S(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H22O4S/c1-2-3-5-10-14(17)15(11-12-16(18)19)21(20)13-8-6-4-7-9-13/h4,6-9,15H,2-3,5,10-12H2,1H3,(H,18,19)