S-[(3-phenoxyphenyl)methyl] 2-[4-(trifluoromethyl)phenyl]pentanethioate

Systemtic Name: S-[(3-phenoxyphenyl)methyl] 2-[4-(trifluoromethyl)phenyl]pentanethioate Openeye Name: S-[(3-phenoxyphenyl)methyl] 2-[4-(trifluoromethyl)phenyl]pentanethioate CAS Name: 2-[4-(trifluoromethyl)phenyl]pentanethioic acid S-[(3-phenoxyphenyl)methyl] ester IUPAC Name: S-[(3-phenoxyphenyl)methyl] 2-[4-(trifluoromethyl)phenyl]pentanethioate Traditional Name: 2-[4-(trifluoromethyl)phenyl]pentanethioic acid S-(3-phenoxybenzyl) ester Formula: C25H23F3O2S MolecularWeight: 444.50913

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C(F)(F)F)C(=O)SCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C(F)(F)F)C(=O)SCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H23F3O2S/c1-2-7-23(19-12-14-20(15-13-19)25(26,27)28)24(29)31-17-18-8-6-11-22(16-18)30-21-9-4-3-5-10-21/h3-6,8-16,23H,2,7,17H2,1H3