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Reference substances

Reference substances

Currently viewing:
IUPAC name:
Disodium [4-{[5-chloro-2-(hydroxy-КO)-3-nitrophenyl]diazenyl-КN1}-3-methyl-1-phenyl-1H-pyrazol-5-olato(2-)-КO][3-{[1-(3-chlorophenyl)-5-(hydroxy-КO)-3-methyl-1H-pyrazol-4-yl]diazenyl-КN1}-4-(hydroxy-КO)-5-nitrobenzenesulfonato(3-)]chromate(2-)

Inventory

EC number:
276-292-0
EC name:
Chromate(2-), [4-[(5-chloro-2-hydroxy-3-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-5-nitrobenzenesulfonato(3-)]-, disodium
CAS number:
72017-66-4
CAS number:
72017-66-4
Synonyms
Names:
Identifier:
CAS number
72017-66-4
Identifier:
EC number
276-292-0
Identifier:
IUPAC name
Chromate(2-), [4-[(5-chloro-2-hydroxy-3-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-5-nitrobenzenesulfonato(3-)]-, disodium
Identifier:
IUPAC name
Disodium [4-{[5-chloro-2-(hydroxy-κO)-3-nitrophenyl]diazenyl-κN1}-3-methyl-1-phenyl-1Hpyrazol-5-olato(2-)-κO][3-{[1-(3-chlorophenyl)-5-(hydroxy-κO)-3-methyl-1H-pyrazol-4-yl]diazenyl-κN1}-4-(hydroxykO)-5-nitrobenzenesulfonato(3-)]chromate(2-)
Identifier:
other: Molecular formula
C32H19Cl2CrN10O11S.2Na
Identifier:
other: InChl
InChI=1S/C16H12ClN5O7S.C16H12ClN5O4.Cr.2Na/c1-8-14(16(24)21(20-8)10-4-2-3-9(17)5-10)19-18-12-6-11(30(27,28)29)7-13(15(12)23)22(25)26;1-9-14(16(24)21(20-9)11-5-3-2-4-6-11)19-18-12-7-10(17)8-13(15(12)23)22(25)26;;;/h2-7,23-24H,1H3,(H,27,28,29);2-8,23-24H,1H3;;;/q;;+3;2*+1/p-5/b19-18+;19-18-;;;
Identifier:
other: SMILES notation
[Cr+3].[Na+].[Na+].O=N(=O)c3cc(Cl)cc(/N=N\c1c([O-])n(nc1C)c2ccccc2)c3[O-].[O-]S(=O)(=O)c3cc(/N=N/c1c([O-])n(nc1C)c2cc(Cl)ccc2)c([O-])c(c3)N(=O)=O

Molecular and structural information

Molecular formula:
C32H19Cl2CrN10O11S.2Na
Molecular weight:
ca. 920.5
SMILES notation:

[Cr+3].[Na+].[Na+].O=N(=O)c3cc(Cl)cc(/N=N\c1c([O-])n(nc1C)c2ccccc2)c3[O-].[O-]S(=O)(=O)c3cc(/N=N/c1c([O-])n(nc1C)c2cc(Cl)ccc2)c([O-])c(c3)N(=O)=O
InChl:

InChI=1S/C16H12ClN5O7S.C16H12ClN5O4.Cr.2Na/c1-8-14(16(24)21(20-8)10-4-2-3-9(17)5-10)19-18-12-6-11(30(27,28)29)7-13(15(12)23)22(25)26;1-9-14(16(24)21(20-9)11-5-3-2-4-6-11)19-18-12-7-10(17)8-13(15(12)23)22(25)26;;;/h2-7,23-24H,1H3,(H,27,28,29);2-8,23-24H,1H3;;;/q;;+3;2*+1/p-5/b19-18+;19-18-;;;
Structural formula:
Chemical structure

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