3-[1-(4-heptylcyclohexyl)cyclohexyl]-6-methyl-benzene-1,2-dicarbonitrile

Systemtic Name: 3-[1-(4-heptylcyclohexyl)cyclohexyl]-6-methyl-benzene-1,2-dicarbonitrile Openeye Name: 3-[1-(4-heptylcyclohexyl)cyclohexyl]-6-methyl-phthalonitrile CAS Name: 3-[1-(4-heptylcyclohexyl)cyclohexyl]-6-methylbenzene-1,2-dicarbonitrile IUPAC Name: 3-[1-(4-heptylcyclohexyl)cyclohexyl]-6-methylbenzene-1,2-dicarbonitrile Traditional Name: 3-[1-(4-heptylcyclohexyl)cyclohexyl]-6-methyl-phthalonitrile Formula: C28H40N2 MolecularWeight: 404.6306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2(CCCCC2)C3=C(C(=C(C=C3)C)C#N)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2(CCCCC2)C3=C(C(=C(C=C3)C)C#N)C#N

InChI

InChI=1S/C28H40N2/c1-3-4-5-6-8-11-23-13-15-24(16-14-23)28(18-9-7-10-19-28)27-17-12-22(2)25(20-29)26(27)21-30/h12,17,23-24H,3-11,13-16,18-19H2,1-2H3