3-methyl-8-(6-methyl-8-oxidanyl-8-oxidanylidene-6-phenyl-octyl)sulfanyl-3-phenyl-octanoic acid

Systemtic Name: 3-methyl-8-(6-methyl-8-oxidanyl-8-oxidanylidene-6-phenyl-octyl)sulfanyl-3-phenyl-octanoic acid Openeye Name: 8-(8-hydroxy-6-methyl-8-oxo-6-phenyl-octyl)sulfanyl-3-methyl-3-phenyl-octanoic acid CAS Name: 8-[(8-hydroxy-6-methyl-8-oxo-6-phenyloctyl)thio]-3-methyl-3-phenyloctanoic acid IUPAC Name: 8-(8-hydroxy-6-methyl-8-oxo-6-phenyloctyl)sulfanyl-3-methyl-3-phenyloctanoic acid Traditional Name: 8-[(8-hydroxy-8-keto-6-methyl-6-phenyl-octyl)thio]-3-methyl-3-phenyl-caprylic acid Formula: C30H42O4S MolecularWeight: 498.71708

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCSCCCCCC(C)(CC(=O)O)C1=CC=CC=C1)(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(CCCCCSCCCCCC(C)(CC(=O)O)C1=CC=CC=C1)(CC(=O)O)C2=CC=CC=C2

InChI

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