4-[4-[3-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-2-methyl-4-oxidanyl-4-oxidanylidene-butyl]sulfanylphenyl]-3-methyl-4-oxidanyl-butanoic acid

Systemtic Name: 4-[4-[3-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-2-methyl-4-oxidanyl-4-oxidanylidene-butyl]sulfanylphenyl]-3-methyl-4-oxidanyl-butanoic acid Openeye Name: 4-[4-[3-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]phenyl]-4-hydroxy-2-methyl-4-oxo-butyl]sulfanylphenyl]-4-hydroxy-3-methyl-butanoic acid CAS Name: 4-[4-[[3-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-4-hydroxy-2-methyl-4-oxobutyl]thio]phenyl]-4-hydroxy-3-methylbutanoic acid IUPAC Name: 4-[4-[3-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]phenyl]-4-hydroxy-2-methyl-4-oxobutyl]sulfanylphenyl]-4-hydroxy-3-methylbutanoic acid Traditional Name: 4-[4-[[3-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]phenyl]-4-hydroxy-4-keto-2-methyl-butyl]thio]phenyl]-4-hydroxy-3-methyl-butyric acid Formula: C36H44O8S2 MolecularWeight: 668.85976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)C(C(C)CSC3=CC=C(C=C3)C(C(C)CC(=O)O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)C(C(C)CSC3=CC=C(C=C3)C(C(C)CC(=O)O)O)C(=O)O

InChI

InChI=1S/C36H44O8S2/c1-5-7-30-31(17-16-29(24(4)37)35(30)41)44-18-6-19-45-27-12-8-25(9-13-27)33(36(42)43)23(3)21-46-28-14-10-26(11-15-28)34(40)22(2)20-32(38)39/h8-17,22-23,33-34,40-41H,5-7,18-21H2,1-4H3,(H,38,39)(H,42,43)