7-[[4-[[4-[[5-[(4-Amino-9,10-Dihydro-9,10-Dioxo-3-Sulpho-1-Anthryl)Amino]-2-Sulphophenyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azo]Naphthalene-1,3,5-Trisulphonic Acid
[CAS# 94159-04-3]

Identification

• Name: 7-[[4-[[4-[[5-[(4-Amino-9,10-Dihydro-9,10-Dioxo-3-Sulpho-1-Anthryl)Amino]-2-Sulphophenyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azo]Naphthalene-1,3,5-Trisulphonic Acid
• Synonyms: 7-[4-[[4-[[5-[(4-Amino-9,10-Dioxo-3-Sulfo-1-Anthryl)Amino]-2-Sulfo-Phenyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azonaphthalene-1,3,5-Trisulfonic Acid; 7-[4-[[4-[[5-[(4-Amino-9,10-Dioxo-3-Sulfo-1-Anthryl)Amino]-2-Sulfophenyl]Amino]-6-Chloro-1,3,5-
• Molecular Formula: C₃₉H₂₆ClN₉O₁₇S₅
• Molecular Weight: 1088.44
• CAS Registry Number: 94159-04-3
• EINECS: 303-179-6
• SMILES: C8=C(NC1=CC(=C([S](=O)(=O)O)C=C1)NC2=NC(=NC(=N2)Cl)NC5=CC=C(N=NC3=CC4=C(C(=C3)[S](=O)(=O)O)C=C([S](=O)(=O)O)C=C4[S](=O)(=O)O)C=C5)C6=C(C(=O)C7=C(C6=O)C=CC=C7)C(=C8[S](=O)(=O)O)N
• InChI: 1S/C39H26ClN9O17S5/c40-37-45-38(43-17-5-7-18(8-6-17)48-49-20-11-24-25(29(13-20)69(58,59)60)14-21(67(52,53)54)15-30(24)70(61,62)63)47-39(46-37)44-26-12-19(9-10-28(26)68(55,56)57)42-27-16-31(71(64,65)66)34(41)33-32(27)35(50)22-3-1-2-4-23(22)36(33)51/h1-16,4
• InChIKey: PXJCQWAOSXBGAV-UHFFFAOYSA-N

Properties

• Density: 1.961g/cm³ (Cal.)