2-methyl-4-[4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]phenyl]hexanenitrile

Systemtic Name: 2-methyl-4-[4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]phenyl]hexanenitrile Openeye Name: 2-methyl-4-[4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]phenyl]hexanenitrile CAS Name: 2-methyl-4-[4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]phenyl]hexanenitrile IUPAC Name: 2-methyl-4-[4-[1-(trifluoromethylsulfonyl)ethylsulfonyl]phenyl]hexanenitrile Traditional Name: 2-methyl-4-[4-(1-triflylethylsulfonyl)phenyl]hexanenitrile Formula: C16H20F3NO4S2 MolecularWeight: 411.45951

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C#N)C1=CC=C(C=C1)S(=O)(=O)C(C)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCC(CC(C)C#N)C1=CC=C(C=C1)S(=O)(=O)C(C)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H20F3NO4S2/c1-4-13(9-11(2)10-20)14-5-7-15(8-6-14)25(21,22)12(3)26(23,24)16(17,18)19/h5-8,11-13H,4,9H2,1-3H3