3,3,3-tris(fluoranyl)-2-[(4-nitrophenyl)sulfanylmethyl]-2-oxidanyl-propanenitrile

Systemtic Name: 3,3,3-tris(fluoranyl)-2-[(4-nitrophenyl)sulfanylmethyl]-2-oxidanyl-propanenitrile Openeye Name: 3,3,3-trifluoro-2-hydroxy-2-[(4-nitrophenyl)sulfanylmethyl]propanenitrile CAS Name: 3,3,3-trifluoro-2-hydroxy-2-[[(4-nitrophenyl)thio]methyl]propanenitrile IUPAC Name: 3,3,3-trifluoro-2-hydroxy-2-[(4-nitrophenyl)sulfanylmethyl]propanenitrile Traditional Name: 3,3,3-trifluoro-2-hydroxy-2-[[(4-nitrophenyl)thio]methyl]propionitrile Formula: C10H7F3N2O3S MolecularWeight: 292.23439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7F3N2O3S/c11-10(12,13)9(16,5-14)6-19-8-3-1-7(2-4-8)15(17)18/h1-4,16H,6H2