6-[4-[[4-[(4-Ethoxy-3-Sulphophenyl)Methylamino]Phenyl]Methylene]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Naphthalene-2-Sulphonic Acid
[CAS# 94158-29-9]

Identification

• Name: 6-[4-[[4-[(4-Ethoxy-3-Sulphophenyl)Methylamino]Phenyl]Methylene]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Naphthalene-2-Sulphonic Acid
• Synonyms: 6-[(4E)-4-[[4-[(4-Ethoxy-3-Sulfo-Phenyl)Methylamino]Phenyl]Methylene]-3-Methyl-5-Oxo-Pyrazol-1-Yl]Naphthalene-2-Sulfonic Acid; 6-[(4E)-4-[[4-[(4-Ethoxy-3-Sulfophenyl)Methylamino]Phenyl]Methylene]-3-Methyl-5-Oxo-1-Pyrazolyl]-2-Naphthalenesulfonic Acid; 6-[(4
• Molecular Formula: C₃₀H₂₇N₃O₈S₂
• Molecular Weight: 621.68
• CAS Registry Number: 94158-29-9
• EINECS: 303-100-5
• SMILES: C4=C(N1N=C(C(/C1=O)=C\C3=CC=C(NCC2=CC(=C(OCC)C=C2)[S](=O)(=O)O)C=C3)C)C=CC5=C4C=CC(=C5)[S](=O)(=O)O
• InChI: 1S/C30H27N3O8S2/c1-3-41-28-13-6-21(15-29(28)43(38,39)40)18-31-24-9-4-20(5-10-24)14-27-19(2)32-33(30(27)34)25-11-7-23-17-26(42(35,36)37)12-8-22(23)16-25/h4-17,31H,3,18H2,1-2H3,(H,35,36,37)(H,38,39,40)/b27-14+
• InChIKey: BNGYUMXRXTYVRF-MZJWZYIUSA-N

Properties

• Density: 1.448g/cm³ (Cal.)