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

Systemtic Name: 2-[2-fluoranyl-4-[4-(4-phenoxy-2-propyl-phenoxy)butylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[2-fluoro-4-[4-(4-phenoxy-2-propyl-phenoxy)butylsulfanyl]phenyl]acetic acid CAS Name: 2-[2-fluoro-4-[4-(4-phenoxy-2-propylphenoxy)butylthio]phenyl]acetic acid IUPAC Name: 2-[2-fluoro-4-[4-(4-phenoxy-2-propylphenoxy)butylsulfanyl]phenyl]acetic acid Traditional Name: 2-[2-fluoro-4-[4-(4-phenoxy-2-propyl-phenoxy)butylthio]phenyl]acetic acid Formula: C27H29FO4S MolecularWeight: 468.580163

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCCSC3=CC(=C(C=C3)CC(=O)O)F

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCCSC3=CC(=C(C=C3)CC(=O)O)F

InChI

InChI=1S/C27H29FO4S/c1-2-8-21-17-23(32-22-9-4-3-5-10-22)12-14-26(21)31-15-6-7-16-33-24-13-11-20(18-27(29)30)25(28)19-24/h3-5,9-14,17,19H,2,6-8,15-16,18H2,1H3,(H,29,30)