2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-4-methyl-3-oxidanylidene-hexanenitrile

Systemtic Name: 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-4-methyl-3-oxidanylidene-hexanenitrile Openeye Name: 2-(2-chloro-4-methylsulfonyl-benzoyl)-4-methyl-3-oxo-hexanenitrile CAS Name: 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-4-methyl-3-oxohexanenitrile IUPAC Name: 2-(2-chloro-4-methylsulfonylbenzoyl)-4-methyl-3-oxohexanenitrile Traditional Name: 2-(2-chloro-4-mesyl-benzoyl)-3-keto-4-methyl-hexanenitrile Formula: C15H16ClNO4S MolecularWeight: 341.80984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(C#N)C(=O)C1=C(C=C(C=C1)S(=O)(=O)C)Cl

Isomeric SMILES

CCC(C)C(=O)C(C#N)C(=O)C1=C(C=C(C=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C15H16ClNO4S/c1-4-9(2)14(18)12(8-17)15(19)11-6-5-10(7-13(11)16)22(3,20)21/h5-7,9,12H,4H2,1-3H3