2,3-Dimethyl-6-Nitrobenzothiazolium p-Toluenesulphonate
[CAS# 29770-14-7]

Identification

• Name: 2,3-Dimethyl-6-Nitrobenzothiazolium p-Toluenesulphonate
• Synonyms: 2,3-Dimethyl-6-Nitrobenzothiazolium P-Toluenesulphonate; Benzothiazolium, 2,3-Dimethyl-6-Nitro-, P-Toluenesulfonate
• Molecular Formula: C₁₆H₁₆N₂O₅S₂
• Molecular Weight: 380.43
• CAS Registry Number: 29770-14-7
• EINECS: 249-834-9
• SMILES: C1=C([N+](=O)[O-])C=CC2=C1SC(=[N+]2C)C.C3=C(C=CC(=C3)C)[S](=O)(=O)[O-]
• InChI: 1S/C9H9N2O2S.C7H8O3S/c1-6-10(2)8-4-3-7(11(12)13)5-9(8)14-6;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: QHVZYSIEYHLOJN-UHFFFAOYSA-M