S-[2,2,2-tris(fluoranyl)ethyl] 2-(4-nitrophenyl)ethanethioate

Systemtic Name: S-[2,2,2-tris(fluoranyl)ethyl] 2-(4-nitrophenyl)ethanethioate Openeye Name: S-(2,2,2-trifluoroethyl) 2-(4-nitrophenyl)ethanethioate CAS Name: 2-(4-nitrophenyl)ethanethioic acid S-(2,2,2-trifluoroethyl) ester IUPAC Name: S-(2,2,2-trifluoroethyl) 2-(4-nitrophenyl)ethanethioate Traditional Name: 2-(4-nitrophenyl)ethanethioic acid S-(2,2,2-trifluoroethyl) ester Formula: C10H8F3NO3S MolecularWeight: 279.23563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)SCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)SCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H8F3NO3S/c11-10(12,13)6-18-9(15)5-7-1-3-8(4-2-7)14(16)17/h1-4H,5-6H2