4-methyl-8-(5-methyl-8-oxidanyl-8-oxidanylidene-5-phenyl-octyl)sulfanyl-4-phenyl-octanoic acid

Systemtic Name: 4-methyl-8-(5-methyl-8-oxidanyl-8-oxidanylidene-5-phenyl-octyl)sulfanyl-4-phenyl-octanoic acid Openeye Name: 8-(8-hydroxy-5-methyl-8-oxo-5-phenyl-octyl)sulfanyl-4-methyl-4-phenyl-octanoic acid CAS Name: 8-[(8-hydroxy-5-methyl-8-oxo-5-phenyloctyl)thio]-4-methyl-4-phenyloctanoic acid IUPAC Name: 8-(8-hydroxy-5-methyl-8-oxo-5-phenyloctyl)sulfanyl-4-methyl-4-phenyloctanoic acid Traditional Name: 8-[(8-hydroxy-8-keto-5-methyl-5-phenyl-octyl)thio]-4-methyl-4-phenyl-caprylic acid Formula: C30H42O4S MolecularWeight: 498.71708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCSCCCCC(C)(CCC(=O)O)C1=CC=CC=C1)(CCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(CCCCSCCCCC(C)(CCC(=O)O)C1=CC=CC=C1)(CCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C30H42O4S/c1-29(21-17-27(31)32,25-13-5-3-6-14-25)19-9-11-23-35-24-12-10-20-30(2,22-18-28(33)34)26-15-7-4-8-16-26/h3-8,13-16H,9-12,17-24H2,1-2H3,(H,31,32)(H,33,34)