2-butylsulfonyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzenecarbonitrile

Systemtic Name: 2-butylsulfonyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzenecarbonitrile Openeye Name: 2-butylsulfonyl-4-(2,2,2-trifluoroethoxy)benzonitrile CAS Name: 2-butylsulfonyl-4-(2,2,2-trifluoroethoxy)benzonitrile IUPAC Name: 2-butylsulfonyl-4-(2,2,2-trifluoroethoxy)benzonitrile Traditional Name: 2-butylsulfonyl-4-(2,2,2-trifluoroethoxy)benzonitrile Formula: C13H14F3NO3S MolecularWeight: 321.31537

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=C(C=CC(=C1)OCC(F)(F)F)C#N

Isomeric SMILES

CCCCS(=O)(=O)C1=C(C=CC(=C1)OCC(F)(F)F)C#N

InChI

InChI=1S/C13H14F3NO3S/c1-2-3-6-21(18,19)12-7-11(5-4-10(12)8-17)20-9-13(14,15)16/h4-5,7H,2-3,6,9H2,1H3