4-methyl-7-(4-methyl-7-oxidanyl-4-phenyl-heptyl)sulfanyl-4-phenyl-heptanoic acid

Systemtic Name: 4-methyl-7-(4-methyl-7-oxidanyl-4-phenyl-heptyl)sulfanyl-4-phenyl-heptanoic acid Openeye Name: 7-(7-hydroxy-4-methyl-4-phenyl-heptyl)sulfanyl-4-methyl-4-phenyl-heptanoic acid CAS Name: 7-[(7-hydroxy-4-methyl-4-phenylheptyl)thio]-4-methyl-4-phenylheptanoic acid IUPAC Name: 7-(7-hydroxy-4-methyl-4-phenylheptyl)sulfanyl-4-methyl-4-phenylheptanoic acid Traditional Name: 7-[(7-hydroxy-4-methyl-4-phenyl-heptyl)thio]-4-methyl-4-phenyl-enanthic acid Formula: C28H40O3S MolecularWeight: 456.6804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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