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Reference substances

Reference substances

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General information

Inventory

EC number:
406-077-0
EC name:
-
CAS number:
-
Description:
REAKTIVBLAU 1463

No inventory information available

Reference substance information

IUPAC name:
Tetrasodium tripotassium (.my.-((2,2'-((3-imino-6-sulfonatophenyl-(N-methyl)-imino)bis((6-chloro-1,3,5-triazin-4,2-diyl)imino(2-hydroxy-5-sulfonato-3,1-phenylen)azo(phenylmethylen)azo))bis(4-sulfonatobenzoato))-dicuprate(7-)

Molecular and structural information

Molecular formula:
Hill formula: C53H29Cl2Cu2K3N18Na4O21S5
Molecular weight:
ca. 1 821.471
SMILES notation:
C1(=NC(=NC(=N1)Cl)N(C2=C(C=CC(=C2)NC3=NC(=NC(=N3)NC4=C6C(=CC(=C4)[S]([O-])(=O)=O)N=NC(=N/N(C5=C(C=CC(=C5)[S]([O-])(=O)=O)C([O-])=O)[Cu]O6)\C7=CC=CC=C7)Cl)[S](=O)([O-])=O)C)NC8=C%10C(=CC(=C8)[S](=O)(=O)[O-])N=NC(=N/N(C9=C(C=CC(=C9)[S]([O-])(=O)=O)C([O-])=O)[Cu]O%10)\C%11=CC=CC=C%11.[Na+].[Na+].[Na+].[Na+].[K+].[K+].[K+]
InChl:
InChI=1S/C53H40Cl2N18O21S5.2Cu.3K.4Na/c1-73(53-62-49(55)61-52(64-53)58-37-22-31(98(89,90)91)24-39(43(37)75)68-72-45(26-10-6-3-7-11-26)70-66-35-20-29(96(83,84)85)14-16-33(35)47(78)79)40-18-27(12-17-41(40)99(92,93)94)56-50-59-48(54)60-51(63-50)57-36-21-30(97(86,87)88)23-38(42(36)74)67-71-44(25-8-4-2-5-9-25)69-65-34-19-28(95(80,81)82)13-15-32(34)46(76)77;;;;;;;;;/h2-24H,1H3,(H14,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94);;;;;;;;;/q;2*+2;7*+1/p-11
Structural formula:
Chemical structure