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

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-sulfanyl-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-sulfanyl-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-4-mercapto-3-methylbutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]phenyl]-3-methyl-4-sulfanylbutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]phenyl]-4-mercapto-3-methyl-butyric acid Formula: C25H32O5S2 MolecularWeight: 476.64858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)C(C(C)CC(=O)O)S

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)C(C(C)CC(=O)O)S

InChI

InChI=1S/C25H32O5S2/c1-4-6-21-22(12-11-20(17(3)26)24(21)29)30-13-5-14-32-19-9-7-18(8-10-19)25(31)16(2)15-23(27)28/h7-12,16,25,29,31H,4-6,13-15H2,1-3H3,(H,27,28)