3-(4-hexylcyclohexyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-hexylcyclohexyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-hexylcyclohexyl)-6-(4-propoxyphenyl)phthalonitrile CAS Name: 3-(4-hexylcyclohexyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-hexylcyclohexyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-hexylcyclohexyl)-6-(4-propoxyphenyl)phthalonitrile Formula: C29H36N2O MolecularWeight: 428.60894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCC)C#N)C#N

Isomeric SMILES

CCCCCCC1CCC(CC1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCC)C#N)C#N

InChI

InChI=1S/C29H36N2O/c1-3-5-6-7-8-22-9-11-23(12-10-22)26-17-18-27(29(21-31)28(26)20-30)24-13-15-25(16-14-24)32-19-4-2/h13-18,22-23H,3-12,19H2,1-2H3