4,4-dimethyl-2-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]carbonyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 4,4-dimethyl-2-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]carbonyl-3-oxidanylidene-pentanenitrile Openeye Name: 4,4-dimethyl-2-[4-methylsulfonyl-2-(trifluoromethyl)benzoyl]-3-oxo-pentanenitrile CAS Name: 4,4-dimethyl-2-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-oxomethyl]-3-oxopentanenitrile IUPAC Name: 4,4-dimethyl-2-[4-methylsulfonyl-2-(trifluoromethyl)benzoyl]-3-oxopentanenitrile Traditional Name: 3-keto-2-[4-mesyl-2-(trifluoromethyl)benzoyl]-4,4-dimethyl-valeronitrile Formula: C16H16F3NO4S MolecularWeight: 375.36275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3NO4S/c1-15(2,3)14(22)11(8-20)13(21)10-6-5-9(25(4,23)24)7-12(10)16(17,18)19/h5-7,11H,1-4H3