2-[4-[4-(2-methylbutoxy)phenyl]phenyl]-1-(13-methyl-12-oxidanylidene-tetradec-13-enyl)cyclohexane-1-carbonitrile

Systemtic Name: 2-[4-[4-(2-methylbutoxy)phenyl]phenyl]-1-(13-methyl-12-oxidanylidene-tetradec-13-enyl)cyclohexane-1-carbonitrile Openeye Name: 2-[4-[4-(2-methylbutoxy)phenyl]phenyl]-1-(13-methyl-12-oxo-tetradec-13-enyl)cyclohexanecarbonitrile CAS Name: 2-[4-[4-(2-methylbutoxy)phenyl]phenyl]-1-(13-methyl-12-oxotetradec-13-enyl)-1-cyclohexanecarbonitrile IUPAC Name: 2-[4-[4-(2-methylbutoxy)phenyl]phenyl]-1-(13-methyl-12-oxotetradec-13-enyl)cyclohexane-1-carbonitrile Traditional Name: 1-(12-keto-13-methyl-tetradec-13-enyl)-2-[4-[4-(2-methylbutoxy)phenyl]phenyl]cyclohexanecarbonitrile Formula: C39H55NO2 MolecularWeight: 569.8595

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCCCC3(CCCCCCCCCCCC(=O)C(=C)C)C#N

Isomeric SMILES

CCC(C)COC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCCCC3(CCCCCCCCCCCC(=O)C(=C)C)C#N

InChI

InChI=1S/C39H55NO2/c1-5-32(4)29-42-36-25-23-34(24-26-36)33-19-21-35(22-20-33)37-17-14-16-28-39(37,30-40)27-15-12-10-8-6-7-9-11-13-18-38(41)31(2)3/h19-26,32,37H,2,5-18,27-29H2,1,3-4H3