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

Systemtic Name: 4-[4-[3-(4-acetyloxy-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-oxidanyl-butanoic acid Openeye Name: 4-[4-[3-(4-acetoxy-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]phenyl]-4-hydroxy-3-methyl-butanoic acid CAS Name: 4-[4-[3-(4-acetyloxy-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-4-hydroxy-3-methylbutanoic acid IUPAC Name: 4-[4-[3-(4-acetyloxy-3-hydroxy-2-propylphenoxy)propylsulfanyl]phenyl]-4-hydroxy-3-methylbutanoic acid Traditional Name: 4-[4-[3-(4-acetoxy-3-hydroxy-2-propyl-phenoxy)propylthio]phenyl]-4-hydroxy-3-methyl-butyric acid Formula: C25H32O7S MolecularWeight: 476.58238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32O7S/c1-4-6-20-21(11-12-22(25(20)30)32-17(3)26)31-13-5-14-33-19-9-7-18(8-10-19)24(29)16(2)15-23(27)28/h7-12,16,24,29-30H,4-6,13-15H2,1-3H3,(H,27,28)