3-methyl-7-(5-methyl-7-oxidanyl-5-phenyl-heptyl)sulfanyl-3-phenyl-heptanoic acid

Systemtic Name: 3-methyl-7-(5-methyl-7-oxidanyl-5-phenyl-heptyl)sulfanyl-3-phenyl-heptanoic acid Openeye Name: 7-(7-hydroxy-5-methyl-5-phenyl-heptyl)sulfanyl-3-methyl-3-phenyl-heptanoic acid CAS Name: 7-[(7-hydroxy-5-methyl-5-phenylheptyl)thio]-3-methyl-3-phenylheptanoic acid IUPAC Name: 7-(7-hydroxy-5-methyl-5-phenylheptyl)sulfanyl-3-methyl-3-phenylheptanoic acid Traditional Name: 7-[(7-hydroxy-5-methyl-5-phenyl-heptyl)thio]-3-methyl-3-phenyl-enanthic acid Formula: C28H40O3S MolecularWeight: 456.6804

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCSCCCCC(C)(CC(=O)O)C1=CC=CC=C1)(CCO)C2=CC=CC=C2

Isomeric SMILES

CC(CCCCSCCCCC(C)(CC(=O)O)C1=CC=CC=C1)(CCO)C2=CC=CC=C2

InChI

InChI=1S/C28H40O3S/c1-27(19-20-29,24-13-5-3-6-14-24)17-9-11-21-32-22-12-10-18-28(2,23-26(30)31)25-15-7-4-8-16-25/h3-8,13-16,29H,9-12,17-23H2,1-2H3,(H,30,31)