1-butyl-4-[4-(4-nonylphenyl)phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-butyl-4-[4-(4-nonylphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-butyl-4-[4-(4-nonylphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-butyl-4-[4-(4-nonylphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-butyl-4-[4-(4-nonylphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-butyl-4-[4-(4-nonylphenyl)phenyl]cyclohexanecarbonitrile Formula: C32H45N MolecularWeight: 443.7064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

InChI

InChI=1S/C32H45N/c1-3-5-7-8-9-10-11-12-27-13-15-28(16-14-27)29-17-19-30(20-18-29)31-21-24-32(26-33,25-22-31)23-6-4-2/h13-20,31H,3-12,21-25H2,1-2H3