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IUPAC name:
trisodium hydrogen [2-[[α-[[3-[[4-chloro-6-[ethyl[3-[[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:
281-889-4
EC name:
Trisodium hydrogen [2-[[α-[[3-[[4-chloro-6-[ethyl[3-[[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:
84057-71-6
CAS number:
84057-71-6
Synonyms
Names:
Identifier:
other: InChl
1S/C33H29ClN9O15S4.Cu.3Na/c1-2-43(20-9-6-10-21(15-20)59(47,48)14-13-58-62(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(19-7-4-3-5-8-19)41-39-25-16-22(60(49,50)51)11-12-24(25)30(45)46;;;;/h3-12,15-18,44H,2,13-14H2,1H3,(H,45,46)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,35,36,37,38);;;;/q;4*+1/p-4/b41-39+,42-40+;;;;
Identifier:
other: SMILES notation
[H+].CCN1c2cccc(c2)S(=O)(=O)CCOS(=O)(=O)O[Cu-4]3456C(/N=N/c7cc(ccc7C(=O)O3)S(=O)(=O)O4)(N=Nc8cc(cc(c8O5)Nc9nc1nc(n9)Cl)S(=O)(=O)O6)c1ccccc1.[Na+].[Na+].[Na+]
Trisodium hydrogen [2-[[α-[[3-[[4-chloro-6-[ethyl[3-[[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-)

Molecular and structural information

Molecular formula:
C33H24ClCuN9O15S43Na
Molecular weight:
1 083.841
SMILES notation:
[H+].CCN1c2cccc(c2)S(=O)(=O)CCOS(=O)(=O)O[Cu-4]3456C(/N=N/c7cc(ccc7C(=O)O3)S(=O)(=O)O4)(N=Nc8cc(cc(c8O5)Nc9nc1nc(n9)Cl)S(=O)(=O)O6)c1ccccc1.[Na+].[Na+].[Na+]
InChl:
1S/C33H29ClN9O15S4.Cu.3Na/c1-2-43(20-9-6-10-21(15-20)59(47,48)14-13-58-62(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(19-7-4-3-5-8-19)41-39-25-16-22(60(49,50)51)11-12-24(25)30(45)46;;;;/h3-12,15-18,44H,2,13-14H2,1H3,(H,45,46)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,35,36,37,38);;;;/q;4*+1/p-4/b41-39+,42-40+;;;;
Structural formula:
Chemical structure

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