3-methyl-8-(6-methyl-9-oxidanyl-6-phenyl-nonyl)sulfanyl-3-phenyl-octanoic acid

Systemtic Name: 3-methyl-8-(6-methyl-9-oxidanyl-6-phenyl-nonyl)sulfanyl-3-phenyl-octanoic acid Openeye Name: 8-(9-hydroxy-6-methyl-6-phenyl-nonyl)sulfanyl-3-methyl-3-phenyl-octanoic acid CAS Name: 8-[(9-hydroxy-6-methyl-6-phenylnonyl)thio]-3-methyl-3-phenyloctanoic acid IUPAC Name: 8-(9-hydroxy-6-methyl-6-phenylnonyl)sulfanyl-3-methyl-3-phenyloctanoic acid Traditional Name: 8-[(9-hydroxy-6-methyl-6-phenyl-nonyl)thio]-3-methyl-3-phenyl-caprylic acid Formula: C31H46O3S MolecularWeight: 498.76014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46O3S/c1-30(22-15-23-32,27-16-7-3-8-17-27)20-11-5-13-24-35-25-14-6-12-21-31(2,26-29(33)34)28-18-9-4-10-19-28/h3-4,7-10,16-19,32H,5-6,11-15,20-26H2,1-2H3,(H,33,34)