4-[4-[3-(6-chloranyl-4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-oxidanyl-butanoic acid

Systemtic Name: 4-[4-[3-(6-chloranyl-4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-oxidanyl-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-6-chloro-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]phenyl]-4-hydroxy-3-methyl-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-6-chloro-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-4-hydroxy-3-methylbutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-6-chloro-3-hydroxy-2-propylphenoxy)propylsulfanyl]phenyl]-4-hydroxy-3-methylbutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-6-chloro-3-hydroxy-2-propyl-phenoxy)propylthio]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(=C1OCCCSC2=CC=C(C=C2)C(C(C)CC(=O)O)O)Cl)C(=O)C)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1OCCCSC2=CC=C(C=C2)C(C(C)CC(=O)O)O)Cl)C(=O)C)O

InChI

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