Benzothiazolium, 2-[2-[4-[butyl(2-cyanoethyl)amino]phenyl]diazenyl]-6-methoxy-3-methyl-, acetate (1:1)
CAS Registry Number®
85005-71-6
CAS Name
Benzothiazolium, 2-[2-[4-[butyl(2-cyanoethyl)amino]phenyl]diazenyl]-6-methoxy-3-methyl-, acetate (1:1)Molecular Formula
C22H26N5OS.C2H3O2Cite this Page
Benzothiazolium, 2-[2-[4-[butyl(2-cyanoethyl)amino]phenyl]diazenyl]-6-methoxy-3-methyl-, acetate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=85005-71-6 (retrieved ) (CAS RN: 85005-71-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H26N5OS.C2H4O2/c1-4-5-14-27(15-6-13-23)18-9-7-17(8-10-18)24-25-22-26(2)20-12-11-19(28-3)16-21(20)29-22;1-2(3)4/h7-12,16H,4-6,14-15H2,1-3H3;1H3,(H,3,4)/q+1;/p-1
InChIKey
InChIKey=KWKWNGFYXFQAEC-UHFFFAOYSA-M
SMILES
C[N+]=1C=2C(SC1N=NC3=CC=C(N(CCCC)CCC#N)C=C3)=CC(OC)=CC2.C(C)([O-])=O
Canonical SMILES
N#CCCN(C1=CC=C(N=NC=2SC=3C=C(OC)C=CC3[N+]2C)C=C1)CCCC.O=C([O-])C
Other Names for this Substance
- Benzothiazolium, 2-[2-[4-[butyl(2-cyanoethyl)amino]phenyl]diazenyl]-6-methoxy-3-methyl-, acetate (1:1)
- Benzothiazolium, 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methyl-, acetate
