(4-octylphenyl) 4-cyano-4-nonyl-cyclohexane-1-carboxylate

Systemtic Name: (4-octylphenyl) 4-cyano-4-nonyl-cyclohexane-1-carboxylate Openeye Name: (4-octylphenyl) 4-cyano-4-nonyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-nonyl-1-cyclohexanecarboxylic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 4-cyano-4-nonylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-nonyl-cyclohexanecarboxylic acid (4-octylphenyl) ester Formula: C31H49NO2 MolecularWeight: 467.72626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)CCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)CCCCCCCC)C#N

InChI

InChI=1S/C31H49NO2/c1-3-5-7-9-11-13-15-23-31(26-32)24-21-28(22-25-31)30(33)34-29-19-17-27(18-20-29)16-14-12-10-8-6-4-2/h17-20,28H,3-16,21-25H2,1-2H3