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

Systemtic Name: 4-[3-chloranyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-oxidanyl-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-3-chloro-phenyl]-4-hydroxy-3-methyl-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-3-chlorophenyl]-4-hydroxy-3-methylbutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-3-chlorophenyl]-4-hydroxy-3-methylbutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-3-chloro-phenyl]-4-hydroxy-3-methyl-butyric acid Formula: C25H31ClO6S MolecularWeight: 495.02804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClO6S/c1-4-6-19-21(9-8-18(16(3)27)25(19)31)32-11-5-12-33-22-10-7-17(14-20(22)26)24(30)15(2)13-23(28)29/h7-10,14-15,24,30-31H,4-6,11-13H2,1-3H3,(H,28,29)