methyl 9-(cyanomethyl)-10-iodanyl-octadecanoate

Systemtic Name: methyl 9-(cyanomethyl)-10-iodanyl-octadecanoate Openeye Name: methyl 9-(cyanomethyl)-10-iodo-octadecanoate CAS Name: 9-(cyanomethyl)-10-iodooctadecanoic acid methyl ester IUPAC Name: methyl 9-(cyanomethyl)-10-iodooctadecanoate Traditional Name: 9-(cyanomethyl)-10-iodo-stearic acid methyl ester Formula: C21H38INO2 MolecularWeight: 463.43639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCC(=O)OC)CC#N)I

Isomeric SMILES

CCCCCCCCC(C(CCCCCCCC(=O)OC)CC#N)I

InChI

InChI=1S/C21H38INO2/c1-3-4-5-6-9-12-15-20(22)19(17-18-23)14-11-8-7-10-13-16-21(24)25-2/h19-20H,3-17H2,1-2H3