3-methyl-8-(6-methyl-7-oxidanyl-7-oxidanylidene-6-phenyl-heptyl)sulfanyl-3-phenyl-octanoic acid

Systemtic Name: 3-methyl-8-(6-methyl-7-oxidanyl-7-oxidanylidene-6-phenyl-heptyl)sulfanyl-3-phenyl-octanoic acid Openeye Name: 8-(7-hydroxy-6-methyl-7-oxo-6-phenyl-heptyl)sulfanyl-3-methyl-3-phenyl-octanoic acid CAS Name: 8-[(7-hydroxy-6-methyl-7-oxo-6-phenylheptyl)thio]-3-methyl-3-phenyloctanoic acid IUPAC Name: 8-(7-hydroxy-6-methyl-7-oxo-6-phenylheptyl)sulfanyl-3-methyl-3-phenyloctanoic acid Traditional Name: 8-[(7-hydroxy-7-keto-6-methyl-6-phenyl-heptyl)thio]-3-methyl-3-phenyl-caprylic acid Formula: C29H40O4S MolecularWeight: 484.6905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40O4S/c1-28(23-26(30)31,24-15-7-3-8-16-24)19-11-5-13-21-34-22-14-6-12-20-29(2,27(32)33)25-17-9-4-10-18-25/h3-4,7-10,15-18H,5-6,11-14,19-23H2,1-2H3,(H,30,31)(H,32,33)