Disodium 1-Amino-4-[[3-[[(3,6-Dichloro-4-Pyridazinyl)Carbonyl]Amino]-2-Methyl-5-Sulphonatophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
[CAS# 94021-07-5]

Identification

• Name: Disodium 1-Amino-4-[[3-[[(3,6-Dichloro-4-Pyridazinyl)Carbonyl]Amino]-2-Methyl-5-Sulphonatophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
• Synonyms: Disodium 1-Amino-4-[[3-[(3,6-Dichloropyridazine-4-Carbonyl)Amino]-2-Methyl-5-Sulfonato-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Disodium 1-Amino-4-[[3-[[(3,6-Dichloro-4-Pyridazinyl)-Oxomethyl]Amino]-2-Methyl-5-Sulfonatophenyl]Amino]-9,10-Dioxo-2-An
• Molecular Formula: C₂₆H₁₅Cl₂N₅Na₂O₉S₂
• Molecular Weight: 722.44
• CAS Registry Number: 94021-07-5
• EINECS: 301-400-0
• SMILES: C3=C(NC1=C(C(=CC(=C1)[S]([O-])(=O)=O)NC(=O)C2=C(Cl)N=NC(=C2)Cl)C)C4=C(C(=C3[S]([O-])(=O)=O)N)C(=O)C5=C(C4=O)C=CC=C5.[Na+].[Na+]
• InChI: 1S/C26H17Cl2N5O9S2.2Na/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);;/q;2*+1/p-2
• InChIKey: KJEMTYTWBBEVOC-UHFFFAOYSA-L