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

Systemtic Name: 3-(4-hexylcyclohexyl)-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-hexylcyclohexyl)-6-(4-methoxyphenyl)phthalonitrile CAS Name: 3-(4-hexylcyclohexyl)-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-hexylcyclohexyl)-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-hexylcyclohexyl)-6-(4-methoxyphenyl)phthalonitrile Formula: C27H32N2O MolecularWeight: 400.55578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O/c1-3-4-5-6-7-20-8-10-21(11-9-20)24-16-17-25(27(19-29)26(24)18-28)22-12-14-23(30-2)15-13-22/h12-17,20-21H,3-11H2,1-2H3