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

Systemtic Name: 4-methyl-9-(6-methyl-9-oxidanyl-6-phenyl-nonyl)sulfanyl-4-phenyl-nonanoic acid Openeye Name: 9-(9-hydroxy-6-methyl-6-phenyl-nonyl)sulfanyl-4-methyl-4-phenyl-nonanoic acid CAS Name: 9-[(9-hydroxy-6-methyl-6-phenylnonyl)thio]-4-methyl-4-phenylnonanoic acid IUPAC Name: 9-(9-hydroxy-6-methyl-6-phenylnonyl)sulfanyl-4-methyl-4-phenylnonanoic acid Traditional Name: 9-[(9-hydroxy-6-methyl-6-phenyl-nonyl)thio]-4-methyl-4-phenyl-pelargonic acid Formula: C32H48O3S MolecularWeight: 512.78672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H48O3S/c1-31(23-15-25-33,28-16-7-3-8-17-28)21-11-5-13-26-36-27-14-6-12-22-32(2,24-20-30(34)35)29-18-9-4-10-19-29/h3-4,7-10,16-19,33H,5-6,11-15,20-27H2,1-2H3,(H,34,35)