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Reference substances

Reference substances

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General information

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Reference substance information

IUPAC name:
hydrogen[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-)

Molecular and structural information

Molecular formula:
C36H23ClCrN7O12S
Molecular weight:
ca. 816.15
SMILES notation:
Clc7ccccc7NC(=O)C(/N=N\c6cc(ccc6O[Cr]3Oc4ccc5ccccc5c4N=Nc1c(cc(c2CC(=CCc12)[N+]([O-])=O)S(=O)(=O)O)O3)[N+]([O-])=O)=C(\C)O
InChl:
InChI=1S/C20H15N3O7S.C16H13ClN4O5.Cr/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;/h1-6,8,10,24-25H,7,9H2,(H,28,29,30);2-8,22-23H,1H3,(H,18,24);/q;;+3/p-3/b22-21-;15-9-,20-19-;
Structural formula:
Chemical structure