Tripotassium/trisodium 5-(4-chloro-6-(N-(4-(4-chloro-6-(5-hydroxy-2,7-disulfonato-6-(2-sulfonatophenylazo)-4-naphthylamino)-1,3,5-triazin-2-yl-(N-methyl)amino)phenyl)amino)-1,3,5-triazin-2-ylamino)-4-hydroxy-3-(2-sulfonatophenylazo)naphthalene-2,7-disulfonate

Reference substances

IUPAC name:

tripotassium trisodium 5-({4-chloro-6-[(4-{[4-chloro-6-({8-hydroxy-3,6-disulfonato-7-[2-(2-sulfonatophenyl)diazen-1-yl]naphthalen-1-yl}amino)-1,3,5-triazin-2-yl]amino}phenyl)(methyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[2-(2-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate

Inventory

EC number:

402-150-6

EC name:

Tripotassium/trisodium 5-(4-chloro-6-(N-(4-(4-chloro-6-(5-hydroxy-2,7-disulfonato-6-(2-sulfonatophenylazo)-4-naphthylamino)-1,3,5-triazin-2-yl-(N-methyl)amino)phenyl)amino)-1,3,5-triazin-2-ylamino)-4-hydroxy-3-(2-sulfonatophenylazo)naphthalene-2,7-disulfonate

CAS number:

-

Description:

C.I. REACTIVE RED 231

CAS number:

118578-11-3

Synonyms

Names:

H111567

Potassium sodium 5-(4-chloro-6-(N-(4-(4-chloro-6-(5-hydroxy- 2,7-disulfonato-6-(2-sulfonatophenylazo)-4-naphthylamino)-1, 3,5-triazin-2-ylamino)phenyl-N-methyl)amino)-1,3,5-triazin-2 -ylamino)-4-hydroxy-3-(2-sulfonatophenylazo)-naphthalene-2,7-disulfonate

Molecular and structural information

Molecular formula:

Hill formula: C45H26Cl2K3N14Na3O20S6
C45H32Cl2N14O20S6.xK.xNa

Molecular weight:

>= 1 352.096 - <= 1 580.636

SMILES notation:

O=S(=O)(c1c(cccc1)N=Nc1c(c2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])Nc1nc(nc(n1)N(c1ccc(cc1)Nc1nc(nc(n1)Cl)Nc1c2c(cc(c1)S(=O)(=O)[O-])cc(c(c2O)N=Nc1c(cccc1)S(=O)(=O)[O-])S(=O)(=O)[O-])C)Cl)O)[O-].[Na+].[Na+].[Na+].[K+].[K+].[K+] (as sodium:potassium salt 1:1)

InChl:

InChI=1S/C45H32Cl2N14O20S6.3K.3Na/c1-61(45-54-41(47)53-44(56-45)50-29-19-25(83(67,68)69)15-21-17-33(87(79,80)81)37(39(63)35(21)29)60-58-27-7-3-5-9-31(27)85(73,74)75)23-12-10-22(11-13-23)48-42-51-40(46)52-43(55-42)49-28-18-24(82(64,65)66)14-20-16-32(86(76,77)78)36(38(62)34(20)28)59-57-26-6-2-4-8-30(26)84(70,71)72;;;;;;/h2-19,62-63H,1H3,(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,50,53,54,56)(H2,48,49,51,52,55);;;;;;/q;6*+1/p-6/b59-57+,60-58+;;;;;;

Structural formula: