Potassium sodium 1-amino-4-{[3-({4-chloro-6-[(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)-2,4,6-trimethyl-5-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydro-2-anthracenesulfon ate (1:1:1)
[CAS# 94157-80-9]

Identification

• Name: Potassium sodium 1-amino-4-{[3-({4-chloro-6-[(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)-2,4,6-trimethyl-5-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydro-2-anthracenesulfon ate (1:1:1)
• Synonyms: 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, potassium sodium salt
• Molecular Formula: C₃₄H₂₈ClKN₇NaO₁₄S₄
• Molecular Weight: 984.43
• CAS Registry Number: 94157-80-9
• EINECS: 303-047-8
• SMILES: [K+].[Na+].Clc6nc(Nc1ccc(cc1)S(=O)(=O)CCOS(O)(=O)=O)nc(Nc5c(C)c(c(C)c(Nc4cc(c(N)c3C(=O)c2ccccc2C(=O)c34)S([O-])(=O)=O)c5C)S([O-])(=O)=O)n6
• InChI: 1S/C34H30ClN7O14S4.K.Na/c1-15-27(38-22-14-23(58(47,48)49)26(36)25-24(22)29(43)20-6-4-5-7-21(20)30(25)44)16(2)31(59(50,51)52)17(3)28(15)39-34-41-32(35)40-33(42-34)37-18-8-10-19(11-9-18)57(45,46)13-12-56-60(53,54)55;;/h4-11,14,38H,12-13,36H2,1-3H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,37,39,40,41,42);;/q;2*+1/p-2
• InChIKey: BPZLKKZWLMLBIU-UHFFFAOYSA-L