2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-ethanenitrile

Systemtic Name: 2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-ethanenitrile Openeye Name: 2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-acetonitrile CAS Name: 2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]sulfonylacetonitrile IUPAC Name: 2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]sulfonylacetonitrile Traditional Name: 2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-acetonitrile Formula: C16H12F3NO3S MolecularWeight: 355.33159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C#N)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C(C#N)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

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