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

Systemtic Name: 3-(4-pentylcyclohexyl)-6-[4-(4-pentylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-(4-pentylcyclohexyl)-6-[4-(4-pentylcyclohexyl)phenyl]phthalonitrile CAS Name: 3-(4-pentylcyclohexyl)-6-[4-(4-pentylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-pentylcyclohexyl)-6-[4-(4-pentylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-(4-amylcyclohexyl)-6-[4-(4-amylcyclohexyl)phenyl]phthalonitrile Formula: C36H48N2 MolecularWeight: 508.77972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4CCC(CC4)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4CCC(CC4)CCCCC)C#N)C#N

InChI

InChI=1S/C36H48N2/c1-3-5-7-9-27-11-15-29(16-12-27)30-19-21-32(22-20-30)34-24-23-33(35(25-37)36(34)26-38)31-17-13-28(14-18-31)10-8-6-4-2/h19-24,27-29,31H,3-18H2,1-2H3