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Reference substances

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IUPAC name:
pentasodium 2-({4-chloro-6-[phenyl(2-{[2-(sulfonatooxy)ethyl]sulfonyl}ethyl)amino]-1,3,5-triazin-2-yl}amino)-5-hydroxy-6-[{2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl]naphthalene-1,7-disulfonate

Inventory

CAS number:
1327197-44-3

Synonyms

Molecular and structural information

Molecular formula:
C35H25ClN9Na5O19S6
Molecular weight:
ca. 1 218
SMILES notation:
ClC1=NC(=NC(=N1)NC3=CC=C2C(=C(C(=CC2=C3[S](=O)(=O)[O-])[S](=O)(=O)[O-])N=NC4=CC=C(C=C4[S](=O)(=O)[O-])N=NC5=CC=C(C=C5)[S](=O)(=O)[O-])O)N(C6=CC=CC=C6)CC[S](=O)(=O)CCO[S](=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChl:
InChI=1S/C35H30ClN9O19S6.5Na/c36-33-38-34(40-35(39-33)45(22-4-2-1-3-5-22)14-16-65(47,48)17-15-64-70(61,62)63)37-27-13-11-24-25(32(27)69(58,59)60)19-29(68(55,56)57)30(31(24)46)44-43-26-12-8-21(18-28(26)67(52,53)54)42-41-20-6-9-23(10-7-20)66(49,50)51;;;;;/h1-13,18-19,46H,14-17H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,37,38,39,40);;;;;/q;5*+1/p-5/b42-41+,44-43+;;;;;
Structural formula:
Chemical structure

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