3-(4-pentoxyphenyl)-6-[4-(4-pentylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCCCC)C#N)C#N

InChI

InChI=1S/C36H42N2O/c1-3-5-7-9-27-10-12-28(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)39-24-8-6-4-2/h14-23,27-28H,3-13,24H2,1-2H3