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methyl 2-cyano-2-hexadecyl-octadecanoate

methyl 2-cyano-2-hexadecyl-octadecanoate

Systemtic Name:methyl 2-cyano-2-hexadecyl-octadecanoate
Openeye Name:methyl 2-cyano-2-hexadecyl-octadecanoate
CAS Name:2-cyano-2-hexadecyloctadecanoic acid methyl ester
IUPAC Name:methyl 2-cyano-2-hexadecyloctadecanoate
Traditional Name:2-cetyl-2-cyano-stearic acid methyl ester
Formula: C36H69NO2
MolecularWeight: 547.93856
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(C#N)C(=O)OC


Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(C#N)C(=O)OC


InChI

InChI=1S/C36H69NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36(34-37,35(38)39-3)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-33H2,1-3H3


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