3-[4-(4-hexylcyclohexyl)phenyl]prop-2-ynenitrile

Systemtic Name: 3-[4-(4-hexylcyclohexyl)phenyl]prop-2-ynenitrile Openeye Name: 3-[4-(4-hexylcyclohexyl)phenyl]prop-2-ynenitrile CAS Name: 3-[4-(4-hexylcyclohexyl)phenyl]-2-propynenitrile IUPAC Name: 3-[4-(4-hexylcyclohexyl)phenyl]prop-2-ynenitrile Traditional Name: 3-[4-(4-hexylcyclohexyl)phenyl]propiolonitrile Formula: C21H27N MolecularWeight: 293.44578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC#N

Isomeric SMILES

CCCCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC#N

InChI

InChI=1S/C21H27N/c1-2-3-4-5-7-18-9-13-20(14-10-18)21-15-11-19(12-16-21)8-6-17-22/h11-12,15-16,18,20H,2-5,7,9-10,13-14H2,1H3