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Reference substances

Currently viewing:
IUPAC name:
Cobaltate(3-), bis[4-[4-[[4-[[[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxyphenyl]sulfonyl]amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonato(3-)]-, trisodium

Inventory

EC number:
278-146-1
EC name:
Cobaltate(3-), bis[4-[4-[[4-[[[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxyphenyl]sulfonyl]amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonato(3-)]-, trisodium
CAS number:
75234-42-3
CAS number:
75234-42-3
Synonyms
Names:
Identifier:
IUPAC name
Cobaltate(3-), bis[4-[4-[[4-[[[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxyphenyl]sulfonyl]amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonato(3-)]-, trisodium
Identifier:
other: Molecular formula
C64H48CoN18O16S4.3Na

Molecular and structural information

Molecular formula:
C64H48CoN18Na3O16S4
Molecular weight:
ca. 1 581.34
SMILES notation:
[Na+].CC1=NN(C(=O)C1\N=N\c2ccc(NS(=O)(=O)c3ccc4c(c3)[N]5=Nc6c(C)nn(c7ccccc7)c6[O-][Co+3]589([N](=Nc%10c(C)nn(c%11ccccc%11)c%10[O-]8)c%12cc(ccc%12[O-]9)S(=O)(=O)Nc%13ccc(cc%13)\N=N\C%14C(=NN(C%14=O)c%15ccc(cc%15)S(=O)(=O)O[Na])C)[O-]4)cc2)c%16ccc(cc%16)S(=O)(=O)O[Na]
InChl:
InChI=1S/2C32H27N9O8S2.Co.3Na/c2*1-19-29(31(43)41(38-19)24-12-14-25(15-13-24)51(47,48)49)35-33-21-8-10-22(11-9-21)39-50(45,46)26-16-17-28(42)27(18-26)34-36-30-20(2)37-40(32(30)44)23-6-4-3-5-7-23;;;;/h2*3-18,29,39,42,44H,1-2H3,(H,47,48,49);;;;/q;;+3;3*+1/p-6/b2*35-33+,36-34+;;;;
Structural formula:
Chemical structure

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