4-Amino-3,6-Bis[[5-[[4-Chloro-6-[(3-Sulphophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulphophenyl]Azo]-5-Hydroxynaphthalene-2,7-Disulphonic Acid
[CAS# 81417-94-9]

Identification

• Name: 4-Amino-3,6-Bis[[5-[[4-Chloro-6-[(3-Sulphophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulphophenyl]Azo]-5-Hydroxynaphthalene-2,7-Disulphonic Acid
• Synonyms: (6E)-4-Amino-3-[5-[[4-Chloro-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Azo-6-[[5-[[4-Chloro-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Hydrazono]-5-Oxo-Naphthalene-2,7-Disulfonic Acid; (6E)-4-Amino-3-[5-[[4-Chloro-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfophenyl]Azo-6-[[5-[[4-Chloro-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfophenyl]Hydrazono]-5-Oxonaphthalene-2,7-Disulfonic Acid; (6E)-4-Amino-3-[5-[[4-Chloro-6-[(3-Sulfophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Azo-6-[[5-[[4-Chloro-6-[(3-Sulfophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Hydrazono]-5-Keto-Naphthalene-2,7-Disulfonic Acid
• Molecular Formula: C₄₀H₂₉Cl₂N₁₅O₁₉S₆
• Molecular Weight: 1287.02
• CAS Registry Number: 81417-94-9
• EINECS: 279-756-0
• SMILES: C1=C8C(=C(N)C(=C1[S](O)(=O)=O)N=NC2=C([S](O)(=O)=O)C=CC(=C2)NC3=NC(=NC(=N3)NC4=CC(=CC=C4)[S](O)(=O)=O)Cl)C(=O)C(=N/NC5=C([S](O)(=O)=O)C=CC(=C5)NC6=NC(=NC(=N6)NC7=CC(=CC=C7)[S](O)(=O)=O)Cl)\C(=C8)[S](O)(=O)=O
• InChI: 1S/C40H29Cl2N15O19S6/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-26(79(65,66)67)24(15-20)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-16-21(8-10-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64/h1-16,55H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53)/b56-54?,57-33-
• InChIKey: KJGGWNXNUJZETH-VPEHNKMYSA-N

Properties

• Density: 2.05g/cm³ (Cal.)