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Reference substances

Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
tetrasodium 2-((1-(3-(6-fluoro-(4-((N-(2-(2-sulfatoethanesulfonyl)ethyl)-N-phenyl)amino)-1,3,5-triazin-2-ylamino)-2-hydroxy-5-sulfonatophenylazo)-1-phenylmethyl)azo)-4-sulfonatobenzoate cuprate (4-)

CAS information

CAS number:
156830-72-7

Molecular and structural information

Molecular formula:
C33H24CuFN9Na4O15S4
Molecular weight:
1 089.347
SMILES notation:
C1(=NC(=NC(=N1)N(CC[S](=O)(=O)CCO[S]([O-])(=O)=O)C2=CC=CC=C2)N(C3=CC(=CC5=C3O[Cu-]6OC(=O)C4=C(C=C(C=C4)[S]([O-])(=O)=O)N=N\C(=N/N56)C7=CC=CC=C7)[S]([O-])(=O)=O)[H])F.[Na+].[Na+].[Na+].[Na+]
InChl:
InChI=1S/C33H30FN9O15S4.Cu.4Na/c34-31-36-32(38-33(37-31)43(21-9-5-2-6-10-21)13-15-59(47,48)16-14-58-62(55,56)57)35-26-18-23(61(52,53)54)19-27(28(26)44)40-42-29(20-7-3-1-4-8-20)41-39-25-17-22(60(49,50)51)11-12-24(25)30(45)46;;;;;/h1-12,17-19H,13-16H2,(H7,35,36,37,38,39,40,41,42,44,45,46,49,50,51,52,53,54,55,56,57);;;;;/q;+2;4*+1/p-6
Structural formula:
Chemical structure