4-Methoxy-5-[3-(2-Methoxy-4-Nitro-5-Sulfophenyl)-5-(Phenylcarbamoyl)Tetrazol-3-Ium-2-Yl]-2-Nitrobenzenesulfonate
[CAS# 117038-70-7]

Identification

• Name: 4-Methoxy-5-[3-(2-Methoxy-4-Nitro-5-Sulfophenyl)-5-(Phenylcarbamoyl)Tetrazol-3-Ium-2-Yl]-2-Nitrobenzenesulfonate
• Synonyms: 4-Methoxy-5-[3-(2-Methoxy-4-Nitro-5-Sulfo-Phenyl)-5-(Phenylcarbamoyl)Tetrazol-3-Ium-2-Yl]-2-Nitro-Benzenesulfonate; 4-Methoxy-5-[3-(2-Methoxy-4-Nitro-5-Sulfophenyl)-5-[Oxo-(Phenylamino)Methyl]-2-Tetrazol-3-Iumyl]-2-Nitrobenzenesulfonate; 4-Methoxy-5-[3-(2-Methoxy-4-Nitro-5-Sulfo-Phenyl)-5-(Phenylcarbamoyl)-1,2,3,4-Tetrazol-3-Ium-2-Yl]-2-Nitro-Benzenesulfonate
• Molecular Formula: C₂₂H₁₇N₇O₁₃S₂
• Molecular Weight: 651.54
• CAS Registry Number: 117038-70-7
• SMILES: C1=C([S](O)(=O)=O)C(=CC(=C1[N]2[N+](=NC(=N2)C(NC3=CC=CC=C3)=O)C4=CC(=C(C=C4OC)[N+](=O)[O-])[S](=O)(=O)[O-])OC)[N+](=O)[O-]
• InChI: 1S/C22H17N7O13S2/c1-41-17-8-15(28(31)32)19(43(35,36)37)10-13(17)26-24-21(22(30)23-12-6-4-3-5-7-12)25-27(26)14-11-20(44(38,39)40)16(29(33)34)9-18(14)42-2/h3-11H,1-2H3,(H2-,23,30,35,36,37,38,39,40)
• InChIKey: CFBVWCHTNQHZLT-UHFFFAOYSA-N