hexadecyl 4-cyanobenzoate

Systemtic Name: hexadecyl 4-cyanobenzoate Openeye Name: hexadecyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid cetyl ester Formula: C24H37NO2 MolecularWeight: 371.55608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)23-18-16-22(21-25)17-19-23/h16-19H,2-15,20H2,1H3