4-[4-(2-dimethylaminoethylsulfanyl)phenoxy]-3-(trifluoromethyl)benzoic acid

Systemtic Name: 4-[4-(2-dimethylaminoethylsulfanyl)phenoxy]-3-(trifluoromethyl)benzoic acid Openeye Name: 4-[4-(2-dimethylaminoethylsulfanyl)phenoxy]-3-(trifluoromethyl)benzoic acid CAS Name: 4-[4-(2-dimethylaminoethylthio)phenoxy]-3-(trifluoromethyl)benzoic acid IUPAC Name: 4-[4-(2-dimethylaminoethylsulfanyl)phenoxy]-3-(trifluoromethyl)benzoic acid Traditional Name: 4-[4-(2-dimethylaminoethylthio)phenoxy]-3-(trifluoromethyl)benzoic acid Formula: C18H18F3NO3S MolecularWeight: 385.40063

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

CN(C)CCSC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C18H18F3NO3S/c1-22(2)9-10-26-14-6-4-13(5-7-14)25-16-8-3-12(17(23)24)11-15(16)18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,23,24)