3-pentyl-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-pentyl-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene-1,2-dicarbonitrile Openeye Name: 3-pentyl-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phthalonitrile CAS Name: 3-pentyl-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-pentyl-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-[2-[4-(4-amylcyclohexyl)phenyl]ethyl]phthalonitrile Formula: C32H42N2 MolecularWeight: 454.68928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)CCC3=C(C(=C(C=C3)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)CCC3=C(C(=C(C=C3)CCCCC)C#N)C#N

InChI

InChI=1S/C32H42N2/c1-3-5-7-9-25-11-16-27(17-12-25)28-18-13-26(14-19-28)15-20-30-22-21-29(10-8-6-4-2)31(23-33)32(30)24-34/h13-14,18-19,21-22,25,27H,3-12,15-17,20H2,1-2H3