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Reference substances

Reference substances

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General information

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Reference substance information

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

CAS information

CAS number:
157905-71-0

Molecular and structural information

Molecular formula:
C33H23CuFN9Na3O11S3
Molecular weight:
969.292
SMILES notation:
[Na+].[Na+].[Na+].C1(=NC(=NC(=N1)N(CC[S](=O)(=O)C=C)C2=CC=CC=C2)NC3=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)F
InChl:
InChI=1S/C33H28FN9O11S3.Cu.3Na/c1-2-55(47,48)16-15-43(21-11-7-4-8-12-21)33-37-31(34)36-32(38-33)35-26-18-23(57(52,53)54)19-27(28(26)44)40-42-29(20-9-5-3-6-10-20)41-39-25-17-22(56(49,50)51)13-14-24(25)30(45)46;;;;/h2-14,17-19H,1,15-16H2,(H6,35,36,37,38,39,40,41,42,44,45,46,49,50,51,52,53,54);;;;/q;+2;3*+1/p-5
Structural formula:
Chemical structure