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

Systemtic Name: 3-[4-(4-heptylcyclohexyl)phenyl]-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-[4-(4-heptylcyclohexyl)phenyl]-6-(4-propoxyphenyl)phthalonitrile CAS Name: 3-[4-(4-heptylcyclohexyl)phenyl]-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-[4-(4-heptylcyclohexyl)phenyl]-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-[4-(4-heptylcyclohexyl)phenyl]-6-(4-propoxyphenyl)phthalonitrile Formula: C36H42N2O MolecularWeight: 518.73148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCC)C#N)C#N

InChI

InChI=1S/C36H42N2O/c1-3-5-6-7-8-9-27-10-12-28(13-11-27)29-14-16-30(17-15-29)33-22-23-34(36(26-38)35(33)25-37)31-18-20-32(21-19-31)39-24-4-2/h14-23,27-28H,3-13,24H2,1-2H3