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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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