2-[(E)-2-(4-Amino-2-Sulfophenyl)Ethenyl]-5-(3-Methyl-5-Oxo-4H-Pyrazol-1-Yl)Benzenesulfonic Acid
[CAS# 119-74-4]

Identification

• Name: 2-[(E)-2-(4-Amino-2-Sulfophenyl)Ethenyl]-5-(3-Methyl-5-Oxo-4H-Pyrazol-1-Yl)Benzenesulfonic Acid
• Synonyms: 2-[(E)-2-(4-Amino-2-Sulfo-Phenyl)Vinyl]-5-(3-Methyl-5-Oxo-4H-Pyrazol-1-Yl)Benzenesulfonic Acid; 2-[(E)-2-(4-Amino-2-Sulfophenyl)Vinyl]-5-(3-Methyl-5-Oxo-4H-Pyrazol-1-Yl)Benzenesulfonic Acid; 2-[(E)-2-(4-Amino-2-Sulfo-Phenyl)Vinyl]-5-(5-Keto-3-Methyl-4H-Pyrazol-1-Yl)Benzenesulfonic Acid
• Molecular Formula: C₁₈H₁₇N₃O₇S₂
• Molecular Weight: 451.47
• CAS Registry Number: 119-74-4
• EINECS: 204-347-0
• SMILES: C1=C(C=CC(=C1[S](=O)(=O)O)\C=C\C2=C([S](=O)(=O)O)C=C(C=C2)N3N=C(C)CC3=O)N
• InChI: 1S/C18H17N3O7S2/c1-11-8-18(22)21(20-11)15-7-5-13(17(10-15)30(26,27)28)3-2-12-4-6-14(19)9-16(12)29(23,24)25/h2-7,9-10H,8,19H2,1H3,(H,23,24,25)(H,26,27,28)/b3-2+
• InChIKey: OQZZKKAUSICVQC-NSCUHMNNSA-N

Properties

• Density: 1.61g/cm³ (Cal.)