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Reference substances

Reference substances

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General information

Inventory

EC number:
278-113-1
EC name:
Chromate(2-), [2,4-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-5-methyl-3H-pyrazol-3-onato(2-)][3-[[4,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-5-nitrobenzenesulfonato(3-)]-, disodium
CAS number:
75199-08-5

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Reference substance information

IUPAC name:
disodium 12',14-dimethyl-12-(4-methylphenyl)-5',6-dinitro-2'λ³,8λ³-dioxa-10λ³,16'λ³-dioxa-1λ,9',10'λ⁴,12,13,13',14',16-octaaza-9-chromaspiro[tetracyclo[7.7.0.0²,.0¹¹,¹]hexadecane-9,1'-tetracyclo[8.6.0.0³,.0¹¹,¹]hexadecane]-1(16),2(7),3,3'(8'),4',5,6',9',10,12',13,15'-dodecaene-9,9,9-tris(ylium)-2',8,11',15-tetraide-4-sulfonate

CAS information

CAS number:
75199-08-5

Molecular and structural information

Molecular formula:
C27H19CrN10O11S.2Na
C27H19CrN10Na2O11S
Molecular weight:
789.541
SMILES notation:
CC3=NNC4=O|[Cr+3]|2|5|9(|N(=NC1=C(C=C(C=C1)[N+](=O)[O-])[O-]|2)[C-]34)|N(=N[C-]6C(=O|5)N(N=C6C)C7=CC=C(C=C7)C)C8=C(C(=CC(=C8)[S](=O)(=O)[O-])[N+]([O-])=O)[O-]|9.[Na+].[Na+]
Structural formula:
Chemical structure