2-[3-chloranyl-4-[3-(3-oxidanyl-4-pentanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-[3-(3-oxidanyl-4-pentanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[3-chloro-4-[3-(3-hydroxy-4-pentanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]acetic acid CAS Name: 2-[3-chloro-4-[3-[3-hydroxy-4-(1-oxopentyl)-2-propylphenoxy]propylthio]phenyl]acetic acid IUPAC Name: 2-[3-chloro-4-[3-(3-hydroxy-4-pentanoyl-2-propylphenoxy)propylsulfanyl]phenyl]acetic acid Traditional Name: 2-[3-chloro-4-[3-(3-hydroxy-2-propyl-4-valeryl-phenoxy)propylthio]phenyl]acetic acid Formula: C25H31ClO5S MolecularWeight: 479.02864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C(=C(C=C1)OCCCSC2=C(C=C(C=C2)CC(=O)O)Cl)CCC)O

Isomeric SMILES

CCCCC(=O)C1=C(C(=C(C=C1)OCCCSC2=C(C=C(C=C2)CC(=O)O)Cl)CCC)O

InChI

InChI=1S/C25H31ClO5S/c1-3-5-8-21(27)18-10-11-22(19(7-4-2)25(18)30)31-13-6-14-32-23-12-9-17(15-20(23)26)16-24(28)29/h9-12,15,30H,3-8,13-14,16H2,1-2H3,(H,28,29)