1-Amino-4-[[3-[[(3,6-Dichloro-4-Pyridazinyl)Carbonyl]Amino]-2-Methyl-5-Sulfophenyl]Amino]-9,10-Dihydro-9,10-Dioxo-2-Anthracenesulfonic Acid
[CAS# 72187-35-0]

Identification

• Name: 1-Amino-4-[[3-[[(3,6-Dichloro-4-Pyridazinyl)Carbonyl]Amino]-2-Methyl-5-Sulfophenyl]Amino]-9,10-Dihydro-9,10-Dioxo-2-Anthracenesulfonic Acid
• Synonyms: 1-Amino-4-[[3-[(3,6-Dichloropyridazine-4-Carbonyl)Amino]-2-Methyl-5-Sulfo-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonic Acid; 1-Amino-4-[[3-[[(3,6-Dichloro-4-Pyridazinyl)-Oxomethyl]Amino]-2-Methyl-5-Sulfophenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonic Acid; 1-Amino-4-[[3-[(3,6-Dichloropyridazine-4-Carbonyl)Amino]-2-Methyl-5-Sulfo-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonic Acid
• Molecular Formula: C₂₆H₁₇Cl₂N₅O₉S₂
• Molecular Weight: 678.47
• CAS Registry Number: 72187-35-0
• SMILES: C1=C(Cl)N=NC(=C1C(=O)NC2=C(C)C(=CC(=C2)[S](=O)(=O)O)NC5=C4C(=O)C3=C(C=CC=C3)C(C4=C(C(=C5)[S](=O)(=O)O)N)=O)Cl
• InChI: 1S/C26H17Cl2N5O9S2/c1-10-15(6-11(43(37,38)39)7-16(10)31-26(36)14-8-19(27)32-33-25(14)28)30-17-9-18(44(40,41)42)22(29)21-20(17)23(34)12-4-2-3-5-13(12)24(21)35/h2-9,30H,29H2,1H3,(H,31,36)(H,37,38,39)(H,40,41,42)
• InChIKey: TZQHPNMMGIEECH-UHFFFAOYSA-N

Properties

• Density: 1.793g/cm³ (Cal.)