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

Systemtic Name: 2-octylsulfonyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzenecarbonitrile Openeye Name: 2-octylsulfonyl-4-(2,2,2-trifluoroethoxy)benzonitrile CAS Name: 2-octylsulfonyl-4-(2,2,2-trifluoroethoxy)benzonitrile IUPAC Name: 2-octylsulfonyl-4-(2,2,2-trifluoroethoxy)benzonitrile Traditional Name: 2-octylsulfonyl-4-(2,2,2-trifluoroethoxy)benzonitrile Formula: C17H22F3NO3S MolecularWeight: 377.42169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22F3NO3S/c1-2-3-4-5-6-7-10-25(22,23)16-11-15(9-8-14(16)12-21)24-13-17(18,19)20/h8-9,11H,2-7,10,13H2,1H3