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

Systemtic Name: 4-butylsulfanyl-4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]phenyl]-4-butylsulfanyl-3-methyl-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-4-(butylthio)-3-methylbutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]phenyl]-4-butylsulfanyl-3-methylbutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]phenyl]-4-(butylthio)-3-methyl-butyric acid Formula: C29H40O5S2 MolecularWeight: 532.7549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(C1=CC=C(C=C1)SCCCOC2=C(C(=C(C=C2)C(=O)C)O)CCC)C(C)CC(=O)O

Isomeric SMILES

CCCCSC(C1=CC=C(C=C1)SCCCOC2=C(C(=C(C=C2)C(=O)C)O)CCC)C(C)CC(=O)O

InChI

InChI=1S/C29H40O5S2/c1-5-7-17-36-29(20(3)19-27(31)32)22-10-12-23(13-11-22)35-18-8-16-34-26-15-14-24(21(4)30)28(33)25(26)9-6-2/h10-15,20,29,33H,5-9,16-19H2,1-4H3,(H,31,32)