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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzenecarbonitrile Openeye Name: 2-(p-tolylsulfonyl)-4-(2,2,2-trifluoroethoxy)benzonitrile CAS Name: 2-(4-methylphenyl)sulfonyl-4-(2,2,2-trifluoroethoxy)benzonitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-4-(2,2,2-trifluoroethoxy)benzonitrile Traditional Name: 2-tosyl-4-(2,2,2-trifluoroethoxy)benzonitrile Formula: C16H12F3NO3S MolecularWeight: 355.33159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)OCC(F)(F)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)OCC(F)(F)F)C#N

InChI

InChI=1S/C16H12F3NO3S/c1-11-2-6-14(7-3-11)24(21,22)15-8-13(5-4-12(15)9-20)23-10-16(17,18)19/h2-8H,10H2,1H3