4-[[5-[[4-Chloro-6-[(3-Sulphophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulphophenyl]Azo]-4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
[CAS# 93858-25-4]

Identification

• Name: 4-[[5-[[4-Chloro-6-[(3-Sulphophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulphophenyl]Azo]-4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
• Synonyms: 4-[5-[[4-Chloro-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Azo-5-Oxo-1-(4-Sulfophenyl)-4H-Pyrazole-3-Carboxylic Acid; 4-[5-[[4-Chloro-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfophenyl]Azo-5-Oxo-1-(4-Sulfophenyl)-4H-Pyr
• Molecular Formula: C₂₅H₁₈ClN₉O₁₂S₃
• Molecular Weight: 768.10
• CAS Registry Number: 93858-25-4
• EINECS: 299-257-1
• SMILES: C5=C(N4N=C(C(N=NC1=C([S](=O)(=O)O)C=CC(=C1)NC2=NC(=NC(=N2)Cl)NC3=CC(=CC=C3)[S](=O)(=O)O)C4=O)C(=O)O)C=CC(=C5)[S](=O)(=O)O
• InChI: 1S/C25H18ClN9O12S3/c26-23-29-24(27-12-2-1-3-16(10-12)49(42,43)44)31-25(30-23)28-13-4-9-18(50(45,46)47)17(11-13)32-33-19-20(22(37)38)34-35(21(19)36)14-5-7-15(8-6-14)48(39,40)41/h1-11,19H,(H,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,27,28,29,30,31)
• InChIKey: QMKVGLRKOOGFPU-UHFFFAOYSA-N

Properties

• Density: 1.953g/cm³ (Cal.)