hexadecyl 2-cyanoethanoate; 2-methoxyethyl 2-cyanoethanoate

Systemtic Name: hexadecyl 2-cyanoethanoate; 2-methoxyethyl 2-cyanoethanoate Openeye Name: hexadecyl 2-cyanoacetate; 2-methoxyethyl 2-cyanoacetate CAS Name: 2-cyanoacetic acid hexadecyl ester; 2-cyanoacetic acid 2-methoxyethyl ester IUPAC Name: hexadecyl 2-cyanoacetate; 2-methoxyethyl 2-cyanoacetate Traditional Name: 2-cyanoacetic acid cetyl ester; 2-cyanoacetic acid 2-methoxyethyl ester Formula: C25H44N2O5 MolecularWeight: 452.62726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CC#N.COCCOC(=O)CC#N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CC#N.COCCOC(=O)CC#N

InChI

InChI=1S/C19H35NO2.C6H9NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19(21)16-17-20;1-9-4-5-10-6(8)2-3-7/h2-16,18H2,1H3;2,4-5H2,1H3