Ammonium hydrogen 5-[(2-{4-[4-(dimethylamino)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-4-sulfonatophenyl)sulfonyl]-2-hydroxybenzoate (1:1:1)
[CAS# 84100-44-7]

Identification

• Name: Ammonium hydrogen 5-[(2-{4-[4-(dimethylamino)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-4-sulfonatophenyl)sulfonyl]-2-hydroxybenzoate (1:1:1)
• Synonyms: ammonium hydrogen 5-[[2-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-sulphonatophenyl]sulphonyl]salicylate
• Molecular Formula: C₂₆H₂₆N₄O₉S₂
• Molecular Weight: 602.64
• CAS Registry Number: 84100-44-7
• EINECS: 282-123-1
• SMILES: [H+].[NH4+].[O-]C(=O)c1cc(ccc1O)S(=O)(=O)c2ccc(cc2N4/N=C(/C)C(=Cc3ccc(cc3)N(C)C)C4=O)S([O-])(=O)=O
• InChI: 1S/C26H23N3O9S2.H3N/c1-15-20(12-16-4-6-17(7-5-16)28(2)3)25(31)29(27-15)22-14-19(40(36,37)38)9-11-24(22)39(34,35)18-8-10-23(30)21(13-18)26(32)33;/h4-14,30H,1-3H3,(H,32,33)(H,36,37,38);1H3
• InChIKey: CIUWFJUMPZKLMA-UHFFFAOYSA-N