1-Amino-4-[3-[[(3,6-Dichloropyridazin-4-Yl)Carbonyl]Amino]-2,4,6-Trimethyl-5-Sulphoanilino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonic Acid
[CAS# 67846-54-2]

Identification

• Name: 1-Amino-4-[3-[[(3,6-Dichloropyridazin-4-Yl)Carbonyl]Amino]-2,4,6-Trimethyl-5-Sulphoanilino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonic Acid
• Synonyms: 1-Amino-4-[[3-[(3,6-Dichloropyridazine-4-Carbonyl)Amino]-2,4,6-Trimethyl-5-Sulfo-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonic Acid; 1-Amino-4-[[3-[[(3,6-Dichloro-4-Pyridazinyl)-Oxomethyl]Amino]-2,4,6-Trimethyl-5-Sulfophenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonic Acid; 1-Amino-4-[[3-[(3,6-Dichloropyridazine-4-Carbonyl)Amino]-2,4,6-Trimethyl-5-Sulfo-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonic Acid
• Molecular Formula: C₂₈H₂₁Cl₂N₅O₉S₂
• Molecular Weight: 706.53
• CAS Registry Number: 67846-54-2
• EINECS: 267-367-9
• SMILES: C1=C(Cl)N=NC(=C1C(=O)NC2=C(C)C(=C(C(=C2C)[S](=O)(=O)O)C)NC5=C4C(=O)C3=C(C=CC=C3)C(C4=C(C(=C5)[S](=O)(=O)O)N)=O)Cl
• InChI: 1S/C28H21Cl2N5O9S2/c1-10-22(11(2)26(46(42,43)44)12(3)23(10)33-28(38)15-8-18(29)34-35-27(15)30)32-16-9-17(45(39,40)41)21(31)20-19(16)24(36)13-6-4-5-7-14(13)25(20)37/h4-9,32H,31H2,1-3H3,(H,33,38)(H,39,40,41)(H,42,43,44)
• InChIKey: WPNCZPHIKSFVSG-UHFFFAOYSA-N

Properties

• Density: 1.719g/cm³ (Cal.)