4-phenylbenzenecarbonitrile hydrate

Systemtic Name: 4-phenylbenzenecarbonitrile hydrate Openeye Name: 4-phenylbenzonitrile hydrate CAS Name: 4-phenylbenzonitrile hydrate IUPAC Name: 4-phenylbenzonitrile hydrate Traditional Name: 4-phenylbenzonitrile hydrate Formula: C26H20N2O MolecularWeight: 376.4498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H9N.H2O/c2*14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;/h2*1-9H;1H2