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

Systemtic Name: 1-octyl-4-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)cyclohexane-1-carbonitrile Openeye Name: 1-octyl-4-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)cyclohexanecarbonitrile CAS Name: 1-octyl-4-(1-octyl-4-phenyl-1-cyclohexa-2,5-dienyl)-1-cyclohexanecarbonitrile IUPAC Name: 1-octyl-4-(1-octyl-4-phenylcyclohexa-2,5-dien-1-yl)cyclohexane-1-carbonitrile Traditional Name: 1-octyl-4-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)cyclohexanecarbonitrile Formula: C35H53N MolecularWeight: 487.80202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H53N/c1-3-5-7-9-11-16-24-34(30-36)26-22-33(23-27-34)35(25-17-12-10-8-6-4-2)28-20-32(21-29-35)31-18-14-13-15-19-31/h13-15,18-21,28-29,32-33H,3-12,16-17,22-27H2,1-2H3