2-cyano-2-(4,6-dioctadecoxy-1,3,5-triazin-2-yl)propanoic acid

Systemtic Name: 2-cyano-2-(4,6-dioctadecoxy-1,3,5-triazin-2-yl)propanoic acid Openeye Name: 2-cyano-2-(4,6-dioctadecoxy-1,3,5-triazin-2-yl)propanoic acid CAS Name: 2-cyano-2-(4,6-dioctadecoxy-1,3,5-triazin-2-yl)propanoic acid IUPAC Name: 2-cyano-2-(4,6-dioctadecoxy-1,3,5-triazin-2-yl)propanoic acid Traditional Name: 2-cyano-2-(4,6-distearyloxy-s-triazin-2-yl)propionic acid Formula: C43H78N4O4 MolecularWeight: 715.10382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=NC(=NC(=N1)C(C)(C#N)C(=O)O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=NC(=NC(=N1)C(C)(C#N)C(=O)O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C43H78N4O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-50-41-45-39(43(3,38-44)40(48)49)46-42(47-41)51-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3,(H,48,49)