2-(3-chlorophenyl)-6-(4-methylphenyl)sulfonyl-3,5-bis(oxidanylidene)hexanenitrile

Systemtic Name: 2-(3-chlorophenyl)-6-(4-methylphenyl)sulfonyl-3,5-bis(oxidanylidene)hexanenitrile Openeye Name: 2-(3-chlorophenyl)-3,5-dioxo-6-(p-tolylsulfonyl)hexanenitrile CAS Name: 2-(3-chlorophenyl)-6-(4-methylphenyl)sulfonyl-3,5-dioxohexanenitrile IUPAC Name: 2-(3-chlorophenyl)-6-(4-methylphenyl)sulfonyl-3,5-dioxohexanenitrile Traditional Name: 2-(3-chlorophenyl)-3,5-diketo-6-tosyl-hexanenitrile Formula: C19H16ClNO4S MolecularWeight: 389.85264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClNO4S/c1-13-5-7-17(8-6-13)26(24,25)12-16(22)10-19(23)18(11-21)14-3-2-4-15(20)9-14/h2-9,18H,10,12H2,1H3