Ethanol, 2,2′,2′′-nitrilotris-, 6,6′,6′′-(1,3,5-triazine-2,4,6-triyltriimino)tris[hexanoate] (3:1) (salt)

80584-92-5

CAS Name

Hexanoic acid, 6,6′,6′′-(1,3,5-triazine-2,4,6-triyltriimino)tris-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:3)

Molecular Formula

C₂₁H₃₆N₆O₆.3C₆H₁₅NO₃

Molecular Mass

916.11

Other Names and Identifiers

InChI

InChI=1S/C21H36N6O6.C6H15NO3/c28-16(29)10-4-1-7-13-22-19-25-20(23-14-8-2-5-11-17(30)31)27-21(26-19)24-15-9-3-6-12-18(32)33;8-4-1-7(2-5-9)3-6-10/h1-15H2,(H,28,29)(H,30,31)(H,32,33)(H3,22,23,24,25,26,27);8-10H,1-6H2

InChIKey

InChIKey=LJDKSQGPOXEOQX-UHFFFAOYSA-N

SMILES

N(CCCCCC(O)=O)C=1N=C(NCCCCCC(O)=O)N=C(NCCCCCC(O)=O)N1.N(CCO)(CCO)CCO

Canonical SMILES

O=C(O)CCCCCNC=1N=C(N=C(N1)NCCCCCC(=O)O)NCCCCCC(=O)O.OCCN(CCO)CCO

Other Names for this Substance