6-Methoxy-3-methyl-2-[(1E)-3-methyl-3-(4-nitrophenyl)-1-triazen-1-yl]-1,3-benzothiazol-3-ium methyl sulfate
[CAS# 89923-57-9]

Identification

• Name: 6-Methoxy-3-methyl-2-[(1E)-3-methyl-3-(4-nitrophenyl)-1-triazen-1-yl]-1,3-benzothiazol-3-ium methyl sulfate
• Synonyms: 6-Methoxy-3-methyl-2-(3-methyl-3-(4-nitrophenyl)triazen-1-yl)benzothiazolium methyl sulphate; 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)triazen-1-yl]benzothiazolium methyl sulphate; Benzothiazolium, 6-methoxy-3-methyl-2-(3-methyl-3-(4-nitrophenyl)-1-triazenyl)-, methyl sulfate
• Molecular Formula: C₁₇H₁₉N₅O₇S₂
• Molecular Weight: 469.49
• CAS Registry Number: 89923-57-9
• EINECS: 289-547-6
• SMILES: [O-]S(=O)(=O)OC.[O-][N+](=O)c1ccc(cc1)N(/N=N/c3sc2cc(OC)ccc2[n+]3C)C
• InChI: 1S/C16H16N5O3S.CH4O4S/c1-19-14-9-8-13(24-3)10-15(14)25-16(19)17-18-20(2)11-4-6-12(7-5-11)21(22)23;1-5-6(2,3)4/h4-10H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: MXKBRGRWDGSFHA-UHFFFAOYSA-M