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

Systemtic Name: 4-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexanecarbonitrile CAS Name: 4-(1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl)-1-octyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl)-1-octylcyclohexane-1-carbonitrile Traditional Name: 4-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexanecarbonitrile Formula: C34H51N MolecularWeight: 473.77544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H51N/c1-3-5-7-9-11-15-23-33(29-35)25-21-32(22-26-33)34(24-16-10-8-6-4-2)27-19-31(20-28-34)30-17-13-12-14-18-30/h12-14,17-20,27-28,31-32H,3-11,15-16,21-26H2,1-2H3