pentanoate; 4-phenylbenzenecarbonitrile

Systemtic Name: pentanoate; 4-phenylbenzenecarbonitrile Openeye Name: pentanoate; 4-phenylbenzonitrile CAS Name: pentanoate; 4-phenylbenzonitrile IUPAC Name: pentanoate; 4-phenylbenzonitrile Traditional Name: 4-phenylbenzonitrile; valerate Formula: C18H18NO2- MolecularWeight: 280.34102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)[O-].C1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCC(=O)[O-].C1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H9N.C5H10O2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-2-3-4-5(6)7/h1-9H;2-4H2,1H3,(H,6,7)/p-1