(3-phenoxyphenyl)methyl 3-methyl-2-[3-(trifluoromethylsulfanyl)phenyl]butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 3-methyl-2-[3-(trifluoromethylsulfanyl)phenyl]butanoate Openeye Name: (3-phenoxyphenyl)methyl 3-methyl-2-[3-(trifluoromethylsulfanyl)phenyl]butanoate CAS Name: 3-methyl-2-[3-(trifluoromethylthio)phenyl]butanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 3-methyl-2-[3-(trifluoromethylsulfanyl)phenyl]butanoate Traditional Name: 3-methyl-2-[3-(trifluoromethylthio)phenyl]butyric acid (3-phenoxybenzyl) ester Formula: C25H23F3O3S MolecularWeight: 460.50853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC(=CC=C1)SC(F)(F)F)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=CC(=CC=C1)SC(F)(F)F)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H23F3O3S/c1-17(2)23(19-9-7-13-22(15-19)32-25(26,27)28)24(29)30-16-18-8-6-12-21(14-18)31-20-10-4-3-5-11-20/h3-15,17,23H,16H2,1-2H3