5-Amino-8-[[4-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-3-Sulphophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracenedisulphonic Acid
[CAS# 94087-01-1]

Identification

• Name: 5-Amino-8-[[4-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-3-Sulphophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracenedisulphonic Acid
• Synonyms: 5-Amino-8-[[4-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-3-Sulfo-Phenyl]Amino]-9,10-Dioxo-Anthracene-1,2-Disulfonic Acid; 5-Amino-8-[[4-[(4,6-Dichloro-S-Triazin-2-Yl)Amino]-3-Sulfo-Phenyl]Amino]-9,10-Diketo-Anthracene-1,2-Disulfonic Acid
• Molecular Formula: C₂₃H₁₄Cl₂N₆O₁₁S₃
• Molecular Weight: 717.48
• CAS Registry Number: 94087-01-1
• EINECS: 301-892-7
• SMILES: C1=CC(=C([S](=O)(=O)O)C2=C1C(=O)C3=C(C2=O)C(=CC=C3N)NC5=CC(=C(NC4=NC(=NC(=N4)Cl)Cl)C=C5)[S](=O)(=O)O)[S](=O)(=O)O
• InChI: 1S/C23H14Cl2N6O11S3/c24-21-29-22(25)31-23(30-21)28-11-4-1-8(7-14(11)44(37,38)39)27-12-5-3-10(26)16-17(12)19(33)15-9(18(16)32)2-6-13(43(34,35)36)20(15)45(40,41)42/h1-7,27H,26H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,28,29,30,31)
• InChIKey: YRNUPSNVSKOQIZ-UHFFFAOYSA-N

Properties

• Density: 1.964g/cm³ (Cal.)