(3R,4S)-7-methyl-4-oxidanyl-6-oxidanylidene-3-phenylsulfanyl-octanoic acid

Systemtic Name: (3R,4S)-7-methyl-4-oxidanyl-6-oxidanylidene-3-phenylsulfanyl-octanoic acid Openeye Name: (3R,4S)-4-hydroxy-7-methyl-6-oxo-3-phenylsulfanyl-octanoic acid CAS Name: (3R,4S)-4-hydroxy-7-methyl-6-oxo-3-(phenylthio)octanoic acid IUPAC Name: (3R,4S)-4-hydroxy-7-methyl-6-oxo-3-phenylsulfanyloctanoic acid Traditional Name: (3R,4S)-4-hydroxy-6-keto-7-methyl-3-(phenylthio)caprylic acid Formula: C15H20O4S MolecularWeight: 296.3819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CC(C(CC(=O)O)SC1=CC=CC=C1)O

Isomeric SMILES

CC(C)C(=O)C[C@@H]([C@@H](CC(=O)O)SC1=CC=CC=C1)O

InChI

InChI=1S/C15H20O4S/c1-10(2)12(16)8-13(17)14(9-15(18)19)20-11-6-4-3-5-7-11/h3-7,10,13-14,17H,8-9H2,1-2H3,(H,18,19)/t13-,14+/m0/s1