3,7-dimethyloctyl 4-[4-(4-cyano-4-decyl-cyclohexyl)phenyl]benzoate

Systemtic Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-decyl-cyclohexyl)phenyl]benzoate Openeye Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-decyl-cyclohexyl)phenyl]benzoate CAS Name: 4-[4-(4-cyano-4-decylcyclohexyl)phenyl]benzoic acid 3,7-dimethyloctyl ester IUPAC Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-decylcyclohexyl)phenyl]benzoate Traditional Name: 4-[4-(4-cyano-4-decyl-cyclohexyl)phenyl]benzoic acid 3,7-dimethyloctyl ester Formula: C40H59NO2 MolecularWeight: 585.90196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCC(C)CCCC(C)C)C#N

Isomeric SMILES

CCCCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCC(C)CCCC(C)C)C#N

InChI

InChI=1S/C40H59NO2/c1-5-6-7-8-9-10-11-12-27-40(31-41)28-24-37(25-29-40)36-18-16-34(17-19-36)35-20-22-38(23-21-35)39(42)43-30-26-33(4)15-13-14-32(2)3/h16-23,32-33,37H,5-15,24-30H2,1-4H3