4-methyl-9-(6-methyl-9-oxidanyl-9-oxidanylidene-6-phenyl-nonyl)sulfanyl-4-phenyl-nonanoic acid

Systemtic Name: 4-methyl-9-(6-methyl-9-oxidanyl-9-oxidanylidene-6-phenyl-nonyl)sulfanyl-4-phenyl-nonanoic acid Openeye Name: 9-(9-hydroxy-6-methyl-9-oxo-6-phenyl-nonyl)sulfanyl-4-methyl-4-phenyl-nonanoic acid CAS Name: 9-[(9-hydroxy-6-methyl-9-oxo-6-phenylnonyl)thio]-4-methyl-4-phenylnonanoic acid IUPAC Name: 9-(9-hydroxy-6-methyl-9-oxo-6-phenylnonyl)sulfanyl-4-methyl-4-phenylnonanoic acid Traditional Name: 9-[(9-hydroxy-9-keto-6-methyl-6-phenyl-nonyl)thio]-4-methyl-4-phenyl-pelargonic acid Formula: C32H46O4S MolecularWeight: 526.77024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H46O4S/c1-31(23-19-29(33)34,27-15-7-3-8-16-27)21-11-5-13-25-37-26-14-6-12-22-32(2,24-20-30(35)36)28-17-9-4-10-18-28/h3-4,7-10,15-18H,5-6,11-14,19-26H2,1-2H3,(H,33,34)(H,35,36)