Catalog Number:
AG01EWUG
Chemical Name:
2-(3-Methyl-1H-imidazol-3-ium-1-yl)-5-nitropyridin-1-ium-1-olate 4-methylbenzene-1-sulfonate
CAS Number:
66809-39-0
Molecular Formula:
C16H16N4O6S
Molecular Weight:
392.3864
MDL Number:
MFCD00956912
IUPAC Name:
4-methylbenzenesulfonate;2-(3-methylimidazol-3-ium-1-yl)-5-nitro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C9H9N4O3.C7H8O3S/c1-10-4-5-11(7-10)9-3-2-8(13(15)16)6-12(9)14;1-6-2-4-7(5-3-6)11(8,9)10/h2-7H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
QMGUESBNLGAGIO-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]1ccn(c1)c1ccc(c[n+]1[O-])[N+](=O)[O-]
