2,4,6-tris(trifluoromethylsulfonyl)benzenecarbonitrile

Systemtic Name: 2,4,6-tris(trifluoromethylsulfonyl)benzenecarbonitrile Openeye Name: 2,4,6-tris(trifluoromethylsulfonyl)benzonitrile CAS Name: 2,4,6-tris(trifluoromethylsulfonyl)benzonitrile IUPAC Name: 2,4,6-tris(trifluoromethylsulfonyl)benzonitrile Traditional Name: 2,4,6-tritriflylbenzonitrile Formula: C10H2F9NO6S3 MolecularWeight: 499.306609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)C(F)(F)F)C#N)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)C(F)(F)F)C#N)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C10H2F9NO6S3/c11-8(12,13)27(21,22)4-1-6(28(23,24)9(14,15)16)5(3-20)7(2-4)29(25,26)10(17,18)19/h1-2H