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

Systemtic Name: 2-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]phenyl]acetic acid CAS Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]phenyl]acetic acid IUPAC Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]phenyl]acetic acid Traditional Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]phenyl]acetic acid Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O5S/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)27-12-4-13-28-17-8-6-16(7-9-17)14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)