3,3-bis(methylsulfonyl)-2-[4-(trifluoromethyloxy)phenyl]sulfonyl-prop-2-enenitrile

Systemtic Name: 3,3-bis(methylsulfonyl)-2-[4-(trifluoromethyloxy)phenyl]sulfonyl-prop-2-enenitrile Openeye Name: 3,3-bis(methylsulfonyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile CAS Name: 3,3-bis(methylsulfonyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-2-propenenitrile IUPAC Name: 3,3-bis(methylsulfonyl)-2-[4-(trifluoromethoxy)phenyl]sulfonylprop-2-enenitrile Traditional Name: 3,3-dimesyl-2-[4-(trifluoromethoxy)phenyl]sulfonyl-acrylonitrile Formula: C12H10F3NO7S3 MolecularWeight: 433.40051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=C(C#N)S(=O)(=O)C1=CC=C(C=C1)OC(F)(F)F)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C(=C(C#N)S(=O)(=O)C1=CC=C(C=C1)OC(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C12H10F3NO7S3/c1-24(17,18)11(25(2,19)20)10(7-16)26(21,22)9-5-3-8(4-6-9)23-12(13,14)15/h3-6H,1-2H3