2-({4-[(2-{[4-({3-[(4-Amino-9,10-dioxo-3-sulfo-9,10-dihydro-1-anthracenyl)amino]-2,4,6-trimethyl-5-sulfophenyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}ethyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)- 1,4-benzenedisulfonic acid
[CAS# 94021-16-6]

Identification

• Name: 2-({4-[(2-{[4-({3-[(4-Amino-9,10-dioxo-3-sulfo-9,10-dihydro-1-anthracenyl)amino]-2,4,6-trimethyl-5-sulfophenyl}amino)-6-chloro-1,3,5-triazin-2-yl]amino}ethyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)- 1,4-benzenedisulfonic acid
• Molecular Formula: C₃₇H₃₂Cl₂N₁₂O₁₄S₄
• Molecular Weight: 1067.89
• CAS Registry Number: 94021-16-6
• EINECS: 301-408-4
• SMILES: Clc1nc(nc(n1)NCCNc2nc(nc(Cl)n2)Nc6c(c(c(c(Nc5cc(c(N)c4C(=O)c3ccccc3C(=O)c45)S(=O)(=O)O)c6C)C)S(=O)(=O)O)C)Nc7cc(ccc7S(=O)(=O)O)S(=O)(=O)O
• InChI: 1S/C37H32Cl2N12O14S4/c1-14-27(43-21-13-23(68(60,61)62)26(40)25-24(21)29(52)18-6-4-5-7-19(18)30(25)53)15(2)31(69(63,64)65)16(3)28(14)45-37-49-33(39)47-35(51-37)42-11-10-41-34-46-32(38)48-36(50-34)44-20-12-17(66(54,55)56)8-9-22(20)67(57,58)59/h4-9,12-13,43H,10-11,40H2,1-3H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H2,41,44,46,48,50)(H2,42,45,47,49,51)
• InChIKey: BUXJVBRIWXHBFM-UHFFFAOYSA-N

Properties

• Density: 1.833g/cm³ (Cal.)