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Currently viewing:
IUPAC name:
Trisodium hydrogen [2-[[α-[[3-[[4-chloro-6-[ethyl[4-[[2(sulphooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulphophenyl]azo]benzyl]azo] -4-sulphobenzoato(6-)]cuprate(4-)

Inventory

EC number:
289-142-4
EC name:
Trisodium hydrogen [2-[[α-[[3-[[4-chloro-6-[ethyl[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulphophenyl]azo]benzyl]azo]-4-sulphobenzoato(6-)]cuprate(4-)
CAS number:
86024-59-1
CAS number:
86024-59-1
Synonyms
Names:
Identifier:
CAS number
86024-59-1
Identifier:
IUPAC name
Cuprate(4-​)​, [2-​[2-​[[2-​[3-​[[4-​chloro-​6-​[ethyl[4-​[[2-​(sulfooxy)​ethyl]​sulfonyl]​phenyl]​amino]​-​1,​3,​5-​triazin-​2-​yl]​amino]​-​2-​(hydroxy-​κO)​-​5-​sulfophenyl]​diazenyl-​κN2]​phenylmethyl]​diazenyl-​κN1]​-​4-​sulfobenzoato(6-​)​-​κO]​-​, sodium hydrogen (1:3:1)​, (SP-​4-​3)​-
Identifier:
IUPAC name
Trisodium hydrogen [2-[[α-[[3-[[4-chloro-6-[ethyl[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulphophenyl]azo]benzyl]azo]-4-sulphobenzoato(6-)]cuprate(4-)
Identifier:
IUPAC name
sodium hydrogen [2-{2-[{[3-{[4-chloro-6-(ethyl{4-[2-(sulfooxy)ethanesulfonyl]phenyl}amino)-1,3,5-triazin-2-yl]amino}-2-(hydroxy-kappaO)-5-sulfophenyl]diazenyl-kappaN~2~}(phenyl)methylidene]hydrazinyl-kappaN~1~}-4-sulfobenzoato(6-)-kappaO]cuprate(4-) (3/1/1)
Identifier:
other: Molecular formula
C33H24ClCuN9O15S4.H.3Na
Identifier:
other: Molecular formula
C33H24ClCuN9O15S43Na
Identifier:
other: Molecular formula
C33H25ClCuN9Na3O15S4
Identifier:
other: SMILES notation
ClC1=NC(N(CC)C2=CC=C(C=C2)S(=O)(CCOS(=O)(O[Na])=O)=O)=NC(NC3=CC(S(=O)(O[Na])=O)=CC4=C3O[Cu]OC(C(C(N/N=C(\N=N\4)C5=CC=CC=C5)=C6)=CC=C6S(=O)(O[Na])=O)=O)=N1

Molecular and structural information

Molecular formula:
C33H24ClCuN9O15S4.3Na
Molecular weight:
1 083.8
SMILES notation:
[H+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N(CC)c2nc(nc(Cl)n2)Nc4cc(cc5[N+]6=NC(=NN7c3cc(ccc3C(=O)O[Cu-2]67Oc45)S([O-])(=O)=O)c8ccccc8)S([O-])(=O)=O
InChl:
InChI=1S/C33H30ClN9O15S4.Cu.3Na/c1-2-43(20-8-10-21(11-9-20)59(47,48)15-14-58-62(55,56)57)33-37-31(34)36-32(38-33)35-26-17-23(61(52,53)54)18-27(28(26)44)40-42-29(19-6-4-3-5-7-19)41-39-25-16-22(60(49,50)51)12-13-24(25)30(45)46;;;;/h3-13,16-18H,2,14-15H2,1H3,(H7,35,36,37,38,39,40,41,42,44,45,46,49,50,51,52,53,54,55,56,57);;;;/q;+2;3*+1/p-5
Structural formula:
Chemical structure

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