CAS 16091-04-6(freeacid)|tetrasodium 3,6-bis[(E)-2-(4-bromo-2-sulfonatophenyl)diazen-1-yl]-4,5-dihydroxynaphthalene-2,7-disulfonate|tetrasodium 3,6-bis[(E)-2-(4-bromo-2-sulfonatophenyl)diazen-1-yl]-...

基本信息

化学结构

分子式

C₂₂H₁₀Br₂N₄Na₄O₁₄S₄

分子量

934.36028

精确质量

931.70338614

电荷

InChI

InChI=1S/C22H14Br2N4O14S4.4Na/c23-10-1-3-12(14(7-10)43(31,32)33)25-27-19-16(45(37,38)39)5-9-6-17(46(40,41)42)20(22(30)18(9)21(19)29)28-26-13-4-2-11(24)8-15(13)44(34,35)36;;;;/h1-8,29-30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;;/q;4*+1/p-4/b27-25+,28-26+;;;;

InChIKey

MDWONRXLQWGCDT-PASCWWRVSA-J

Canonic Smiles

Brc1ccc(c(c1)S(=O)(=O)[O-])/N=N/c1c(O)c2c(cc1S(=O)(=O)[O-])cc(c(c2O)/N=N/c1ccc(cc1S(=O)(=O)[O-])Br)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric Smiles

c1c(cc(c(c1)/N=N/c1c(c2c(c(c(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c1c(cc(cc1)Br)S(=O)(=O)[O-])O)O)S(=O)(=O)[O-])Br.[Na+].[Na+].[Na+].[Na+]

计算属性

JChem

Acid pKa

-3.4393702

质子受体

质子供体