Lithium Sodium 6,13-Dichloro-3,10-Bis{[2-({4-Fluoro-6-[(2-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl}Amino)Propyl]Amino}[1,4]Benzoxazino[2,3-b]Phenoxazine-4,11-Disulfonate (2:2:1)
[CAS# 163062-28-0]

Identification

• Name: Lithium Sodium 6,13-Dichloro-3,10-Bis{[2-({4-Fluoro-6-[(2-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl}Amino)Propyl]Amino}[1,4]Benzoxazino[2,3-b]Phenoxazine-4,11-Disulfonate (2:2:1)
• Molecular Formula: C₄₂H₃₀Cl₂F₂Li₂N₁₄Na₂O₁₄S_{
• Molecular Weight: 1251.80
• CAS Registry Number: 163062-28-0
• SMILES: [Li+].[Li+].CC(CNc1ccc2c(c1S(=O)(=O)[O-])Oc3c(=N2)c(c4c(=Nc5ccc(c(c5O4)S(=O)(=O)[O-])NCC(C)Nc6nc(nc(n6)F)Nc7ccccc7S(=O)(=O)[O-])c3Cl)Cl)Nc8nc(nc(n8)F)Nc9ccccc9S(=O)(=O)[O-].[Na+].[Na+]
• InChI: 1S/C42H34Cl2F2N14O14S4.2Li.2Na/c1-17(49-39-55-37(45)57-41(59-39)53-19-7-3-5-9-25(19)75(61,62)63)15-47-23-13-11-21-31(35(23)77(67,68)69)73-33-27(43)30-34(28(44)29(33)51-21)74-32-22(52-30)12-14-24(36(32)78(70,71)72)48-16-18(2)50-40-56-38(46)58-42(60-40)54-20-8-4-6-10-26(20)76(64,65)66;;;;/h3-14,17-18,47-48H,15-16H2,1-2H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,49,53,55,57,59)(H2,50,54,56,58,60);;;;/q;4*+1/p-4
• InChIKey: SRFPXUMWILKBAG-UHFFFAOYSA-J

Properties

• Refractive index: (Cal.)