4H-1,2,4-Triazolium, 5-[2-[4-[[2-(benzoyloxy)ethyl]ethylamino]phenyl]diazenyl]-1,4-dimethyl-, methyl sulfate (1:1)
CAS Registry Number®
72987-20-3
CAS Name
4H-1,2,4-Triazolium, 5-[2-[4-[[2-(benzoyloxy)ethyl]ethylamino]phenyl]diazenyl]-1,4-dimethyl-, methyl sulfate (1:1)Molecular Formula
C21H25N6O2.CH3O4SCite this Page
4H-1,2,4-Triazolium, 5-[2-[4-[[2-(benzoyloxy)ethyl]ethylamino]phenyl]diazenyl]-1,4-dimethyl-, methyl sulfate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=72987-20-3 (retrieved ) (CAS RN: 72987-20-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H25N6O2.CH4O4S/c1-4-27(14-15-29-20(28)17-8-6-5-7-9-17)19-12-10-18(11-13-19)23-24-21-25(2)16-22-26(21)3;1-5-6(2,3)4/h5-13,16H,4,14-15H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey
InChIKey=NERWTCJDWFQHHC-UHFFFAOYSA-M
SMILES
N(CCOC(=O)C1=CC=CC=C1)(CC)C2=CC=C(N=NC3=[N+](C)C=NN3C)C=C2.S(OC)(=O)(=O)[O-]
Canonical SMILES
O=C(OCCN(C1=CC=C(N=NC=2N(N=C[N+]2C)C)C=C1)CC)C=3C=CC=CC3.O=S(=O)([O-])OC
Other Names for this Substance
- 4H-1,2,4-Triazolium, 5-[2-[4-[[2-(benzoyloxy)ethyl]ethylamino]phenyl]diazenyl]-1,4-dimethyl-, methyl sulfate (1:1)
- 1H-1,2,4-Triazolium, 5-[[4-[[2-(benzoyloxy)ethyl]ethylamino]phenyl]azo]-1,4-dimethyl-, methyl sulfate
