4-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexanecarbonitrile CAS Name: 4-(1-hexyl-4-phenyl-1-cyclohexa-2,5-dienyl)-1-octyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-hexyl-4-phenylcyclohexa-2,5-dien-1-yl)-1-octylcyclohexane-1-carbonitrile Traditional Name: 4-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexanecarbonitrile Formula: C33H49N MolecularWeight: 459.74886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)CCCCCC)C#N

InChI

InChI=1S/C33H49N/c1-3-5-7-9-10-14-22-32(28-34)24-20-31(21-25-32)33(23-15-8-6-4-2)26-18-30(19-27-33)29-16-12-11-13-17-29/h11-13,16-19,26-27,30-31H,3-10,14-15,20-25H2,1-2H3