Ammonium 3-carboxy-5-[(8-{[(2E)-4-{4-[(4E)-4-({7-[(3,5-dicarboxyphenyl)diazenyl]-8-hydroxy-3,6-disulfo-1-naphthyl}amino)-6-oxo-1,6-dihydro-1,3,5-triazin-2-yl]-2,5-dimethyl-1-piperazinyl}-6-oxo-1,6-dihydro-1,3,5-triazin-2-yl]amino}-1-hydroxy-3,6-disulfo-2-naphthyl)diazenyl]benzoate
[CAS# 151151-34-7]

Identification

• Name: Ammonium 3-carboxy-5-[(8-{[(2E)-4-{4-[(4E)-4-({7-[(3,5-dicarboxyphenyl)diazenyl]-8-hydroxy-3,6-disulfo-1-naphthyl}amino)-6-oxo-1,6-dihydro-1,3,5-triazin-2-yl]-2,5-dimethyl-1-piperazinyl}-6-oxo-1,6-dihydro-1,3,5-triazin-2-yl]amino}-1-hydroxy-3,6-disulfo-2-naphthyl)diazenyl]benzoate
• Synonyms: 1,3-Benzenedicarboxylic acid, 5,5'-[(2,5-dimethyl-1,4-piperazinediyl)bis[(1,6-dihydro-6-oxo-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfo-1,7-naphthalenediyl)azo]]bis-, ammonium salt
• Molecular Formula: C₄₈H₄₁N₁₅O₂₄S₄
• Molecular Weight: 1340.19
• CAS Registry Number: 151151-34-7
• SMILES: CC1CN(C(CN1c2nc([nH]c(=O)n2)Nc3cc(cc4c3c(c(c(c4)S(=O)(=O)O)N=Nc5cc(cc(c5)C(=O)[O-])C(=O)O)O)S(=O)(=O)O)C)c6nc([nH]c(=O)n6)Nc7cc(cc8c7c(c(c(c8)S(=O)(=O)O)N=Nc9cc(cc(c9)C(=O)O)C(=O)O)O)S(=O)(=O)O.[NH4+]
• InChI: 1S/C48H38N14O24S4.H3N/c1-17-15-62(46-52-44(54-48(74)56-46)50-30-14-28(88(78,79)80)10-20-12-32(90(84,85)86)36(38(64)34(20)30)60-58-26-7-23(41(69)70)4-24(8-26)42(71)72)18(2)16-61(17)45-51-43(53-47(73)55-45)49-29-13-27(87(75,76)77)9-19-11-31(89(81,82)83)35(37(63)33(19)29)59-57-25-5-21(39(65)66)3-22(6-25)40(67)68;/h3-14,17-18,63-64H,15-16H2,1-2H3,(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,49,51,53,55,73)(H2,50,52,54,56,74);1H3
• InChIKey: FXLAZEJDBGQTGN-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)