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

Systemtic Name: 2-[2-fluoranyl-3-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[2-fluoro-3-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]acetic acid CAS Name: 2-[2-fluoro-3-[3-(4-phenoxy-2-propylphenoxy)propylthio]phenyl]acetic acid IUPAC Name: 2-[2-fluoro-3-[3-(4-phenoxy-2-propylphenoxy)propylsulfanyl]phenyl]acetic acid Traditional Name: 2-[2-fluoro-3-[3-(4-phenoxy-2-propyl-phenoxy)propylthio]phenyl]acetic acid Formula: C26H27FO4S MolecularWeight: 454.553583

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCSC3=CC=CC(=C3F)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCSC3=CC=CC(=C3F)CC(=O)O

InChI

InChI=1S/C26H27FO4S/c1-2-8-19-17-22(31-21-10-4-3-5-11-21)13-14-23(19)30-15-7-16-32-24-12-6-9-20(26(24)27)18-25(28)29/h3-6,9-14,17H,2,7-8,15-16,18H2,1H3,(H,28,29)