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(4,6-didodecoxy-1,3,5-triazin-2-yl)methyl 2-cyanoethanoate

(4,6-didodecoxy-1,3,5-triazin-2-yl)methyl 2-cyanoethanoate

Systemtic Name:(4,6-didodecoxy-1,3,5-triazin-2-yl)methyl 2-cyanoethanoate
Openeye Name:(4,6-didodecoxy-1,3,5-triazin-2-yl)methyl 2-cyanoacetate
CAS Name:2-cyanoacetic acid (4,6-didodecoxy-1,3,5-triazin-2-yl)methyl ester
IUPAC Name:(4,6-didodecoxy-1,3,5-triazin-2-yl)methyl 2-cyanoacetate
Traditional Name:2-cyanoacetic acid (4,6-dilauryloxy-s-triazin-2-yl)methyl ester
Formula: C31H54N4O4
MolecularWeight: 546.78486
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=NC(=NC(=N1)COC(=O)CC#N)OCCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCOC1=NC(=NC(=N1)COC(=O)CC#N)OCCCCCCCCCCCC


InChI

InChI=1S/C31H54N4O4/c1-3-5-7-9-11-13-15-17-19-21-25-37-30-33-28(27-39-29(36)23-24-32)34-31(35-30)38-26-22-20-18-16-14-12-10-8-6-4-2/h3-23,25-27H2,1-2H3


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