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Reference substances

Reference substances

Currently viewing:
IUPAC name:
trisodium 12'-methyl-6',7-dinitro-14'-phenyl-2',13,15,16'-tetraoxa-1λ⁵,2,9',10'λ⁵,13',14'-hexaaza-14-chromaspiro[hexacyclo[12.11.0.0³,¹².0⁴,⁹.0¹⁶,²⁵.0¹⁹,²⁴]pentacosane-14,1'-tetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadecane]-1,3,3'(8'),4',5,6',7,9,9',11,11'(15'),12',16(25),17,19,21,23-heptadecaene-1,10'-bis(ylium)-14,14,14-triuide-4',10-disulfonate

Inventory

EC number:
284-915-2
EC name:
Chromate(3-), [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulfonato(3-)][3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-7-nitro-1-naphthalenesulfonato(3-)]-, sodium
CAS number:
84989-26-4
CAS number:
84989-26-4
Synonyms
Names:
Identifier:
CAS number
84989-26-4
Identifier:
EC number
284-915-2
Identifier:
IUPAC name
Chromate(3-), (3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulfonato(3-))(3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-7-nitro-1-naphthalenesulfonato(3-))-, sodium
Identifier:
IUPAC name
Chromate(3-), [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulfonato(3-)][3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-7-nitro-1-naphthalenesulfonato(3-)]-, sodium
Identifier:
IUPAC name
Chromate(3-),[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulfonato(3-)][3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-7-nitro-1-naphthalenesulfonato(3-)]-, sodium
Identifier:
IUPAC name
trisodium 12'-methyl-6',7-dinitro-14'-phenyl-2',13,15,16'-tetraoxa-1λ⁵,2,9',10'λ⁵,13',14'-hexaaza-14-chromaspiro[hexacyclo[12.11.0.0³,¹².0⁴,⁹.0¹⁶,²⁵.0¹⁹,²⁴]pentacosane-14,1'-tetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadecane]-1,3,3'(8'),4',5,6',7,9,9',11,11'(15'),12',16(25),17,19,21,23-heptadecaene-1,10'-bis(ylium)-14,14,14-triuide-4',10-disulfonate
Identifier:
IUPAC name
trisodium 12'-methyl-6',7-dinitro-14'-phenyl-2',13,15,16'-tetraoxa-1λ⁵,2,9',10'λ⁵,13',14'-hexaaza-14-chromaspiro[hexacyclo[12.11.0.0³,¹².0⁴,⁹.0¹⁶,²⁵.0¹⁹,²⁴]pentacosane-14,1'-tetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadecane]-1,3,3'(8'),4',5,6',7,9,9',11,11'(15'),12',16(25),17,19,21,23-heptadecaene-1,10'-bis(ylium)-14,14,14-triuide-4',10-disulfonate
Identifier:
Colour Index
Acid Brown 355
Identifier:
other: Molecular formula
C36H20CrN8Na3O14S2
Identifier:
other: Molecular formula
C36H20CrN8O14S23Na
Identifier:
other: Molecular formula
C36H20CrN8O14S2Na
Identifier:
other: InChl
InChI=1S/C20H13N3O7S.C16H13N5O7S.Cr.2Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;;;/h1-10,24-25H,(H,28,29,30);2-8,22-23H,1H3,(H,26,27,28);;;/q;;+3;2*+1/p-6/b22-21+;18-17+;;;
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].CC1=NN(C2=C1[N+]1=NC3=C(O[Cr-3]114(OC5=C(C6=CC=CC=C6C=C5)[N+]1=NC1=C5C=CC(=CC5=C(C=C1O4)S([O-])(=O)=O)N(=O)=O)O2)C(=CC(=C3)N(=O)=O)S([O-])(=O)=O)C1=CC=CC=C1
Chromate(3-), [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulfonato(3-)][3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-7-nitro-1-naphthalenesulfonato(3-)]-, sodium

Molecular and structural information

Molecular formula:
C36H20CrN8Na3O14S2
Molecular weight:
ca. 973.68
SMILES notation:
[Na+].[Na+].[O-][N+](=O)c1ccc3c(c1)c(cc4O[Cr-]7(Oc5ccc2ccccc2c5N=Nc34)Oc9c(N=Nc8c(C)nn(c6ccccc6)c8O7)cc(cc9S([O-])(=O)=O)[N+]([O-])=O)S([O-])(=O)=O
InChl:
1S/C20H13N3O7S.C16H13N5O7S.Cr.2Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;;;/h1-10,24-25H,(H,28,29,30);2-8,22-23H,1H3,(H,26,27,28);;;/q;;+3;2*+1/p-6/b22-21+;18-17+;;;
Structural formula:
Chemical structure

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