4-(1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-nonyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-(1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-nonyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-nonyl-cyclohexanecarbonitrile CAS Name: 4-(1-butyl-4-phenyl-1-cyclohexa-2,5-dienyl)-1-nonyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-butyl-4-phenylcyclohexa-2,5-dien-1-yl)-1-nonylcyclohexane-1-carbonitrile Traditional Name: 4-(1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-nonyl-cyclohexanecarbonitrile Formula: C32H47N MolecularWeight: 445.72228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)CCCC)C#N

Isomeric SMILES

CCCCCCCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)CCCC)C#N

InChI

InChI=1S/C32H47N/c1-3-5-7-8-9-10-14-21-31(27-33)23-19-30(20-24-31)32(22-6-4-2)25-17-29(18-26-32)28-15-12-11-13-16-28/h11-13,15-18,25-26,29-30H,3-10,14,19-24H2,1-2H3