2-[1-(2-chlorophenyl)-3-(4-chlorophenyl)-3-oxidanylidene-propyl]propanedinitrile hydrate

Systemtic Name: 2-[1-(2-chlorophenyl)-3-(4-chlorophenyl)-3-oxidanylidene-propyl]propanedinitrile hydrate Openeye Name: 2-[1-(2-chlorophenyl)-3-(4-chlorophenyl)-3-oxo-propyl]propanedinitrile hydrate CAS Name: 2-[1-(2-chlorophenyl)-3-(4-chlorophenyl)-3-oxopropyl]propanedinitrile hydrate IUPAC Name: 2-[1-(2-chlorophenyl)-3-(4-chlorophenyl)-3-oxopropyl]propanedinitrile hydrate Traditional Name: 2-[1-(2-chlorophenyl)-3-(4-chlorophenyl)-3-keto-propyl]malononitrile hydrate Formula: C18H14Cl2N2O2 MolecularWeight: 361.22196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CC(=O)C2=CC=C(C=C2)Cl)C(C#N)C#N)Cl.O

Isomeric SMILES

C1=CC=C(C(=C1)C(CC(=O)C2=CC=C(C=C2)Cl)C(C#N)C#N)Cl.O

InChI

InChI=1S/C18H12Cl2N2O.H2O/c19-14-7-5-12(6-8-14)18(23)9-16(13(10-21)11-22)15-3-1-2-4-17(15)20;/h1-8,13,16H,9H2;1H2