4-(4-cyanophenyl)benzenecarbonitrile hydrate

Systemtic Name: 4-(4-cyanophenyl)benzenecarbonitrile hydrate Openeye Name: 4-(4-cyanophenyl)benzonitrile hydrate CAS Name: 4-(4-cyanophenyl)benzonitrile hydrate IUPAC Name: 4-(4-cyanophenyl)benzonitrile hydrate Traditional Name: 4-(4-cyanophenyl)benzonitrile hydrate Formula: C28H18N4O MolecularWeight: 426.46872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N.C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N.O

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N.C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N.O

InChI

InChI=1S/2C14H8N2.H2O/c2*15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14;/h2*1-8H;1H2