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Reference substances

Reference substances

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General information

Inventory

EC number:
276-649-0
EC name:
Disodium [N-(2-chlorophenyl)-2-[(2-hydroxy-5-nitrophenyl)azo]-3-oxobutyramidato(2-)][3-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]-7-nitronaphthalene-1-sulphonato(3-)]chromate(2-)
CAS number:
72403-66-8

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Reference substance information

IUPAC name:
disodium [N-(2-chlorophenyl)-2-[(2-hydroxy-5-nitrophenyl)azo]-3-oxobutyramidato(2-)][3-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]-7-nitronaphthalene-1-sulphonato(3-)]chromate(2-)

CAS information

CAS number:
72403-66-8

Molecular and structural information

Molecular formula:
C36H21ClCrN7Na2O12S
Molecular weight:
909.094
SMILES notation:
[Na+].[Na+].Clc8ccccc8NC(=O)C=6N=Nc7cc(ccc7O[Cr-]3(Oc5ccc1ccccc1c5N=Nc4c2CC=C(Cc2c(cc4O3)S(=O)(=O)O)[N+]([O-])=O)OC=6C)[N+]([O-])=O
InChl:
InChI=1/C20H13N3O7S.C16H13ClN4O5.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(22)15(16(24)18-12-5-3-2-4-11(12)17)20-19-13-8-10(21(25)26)6-7-14(13)23;;;/h1-10,24-25H,(H,28,29,30);2-8,22-23H,1H3,(H,18,24);;;/q;;+3;2*+1/p-5/b22-21+;15-9-,20-19+;;;
Structural formula:
Chemical structure