benzoic acid; 4-phenylbenzenecarbonitrile

Systemtic Name: benzoic acid; 4-phenylbenzenecarbonitrile Openeye Name: benzoic acid; 4-phenylbenzonitrile CAS Name: benzoic acid; 4-phenylbenzonitrile IUPAC Name: benzoic acid; 4-phenylbenzonitrile Traditional Name: benzoic acid; 4-phenylbenzonitrile Formula: C20H15NO2 MolecularWeight: 301.3386

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H9N.C7H6O2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;8-7(9)6-4-2-1-3-5-6/h1-9H;1-5H,(H,8,9)