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

Systemtic Name: 3-(4-butoxyphenyl)-6-(4-hexylcyclohexyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butoxyphenyl)-6-(4-hexylcyclohexyl)phthalonitrile CAS Name: 3-(4-butoxyphenyl)-6-(4-hexylcyclohexyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butoxyphenyl)-6-(4-hexylcyclohexyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-butoxyphenyl)-6-(4-hexylcyclohexyl)phthalonitrile Formula: C30H38N2O MolecularWeight: 442.63552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O/c1-3-5-7-8-9-23-10-12-24(13-11-23)27-18-19-28(30(22-32)29(27)21-31)25-14-16-26(17-15-25)33-20-6-4-2/h14-19,23-24H,3-13,20H2,1-2H3