2-(4-hept-1-ynylphenyl)ethanenitrile

Systemtic Name: 2-(4-hept-1-ynylphenyl)ethanenitrile Openeye Name: 2-(4-hept-1-ynylphenyl)acetonitrile CAS Name: 2-(4-hept-1-ynylphenyl)acetonitrile IUPAC Name: 2-(4-hept-1-ynylphenyl)acetonitrile Traditional Name: 2-(4-hept-1-ynylphenyl)acetonitrile Formula: C15H17N MolecularWeight: 211.30218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=CC=C(C=C1)CC#N

Isomeric SMILES

CCCCCC#CC1=CC=C(C=C1)CC#N

InChI

InChI=1S/C15H17N/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)12-13-16/h8-11H,2-5,12H2,1H3