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Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
disodium [N-[7-hydroxy-8-[(2-hydroxy-5-mesylphenyl)azo]-1-naphthyl]acetamidato(2-)][2-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-nitrobenzenesulphonato(3-)]chromate(2-)

Inventory

EC number:
259-452-4
EC name:
Disodium [N-[7-hydroxy-8-[(2-hydroxy-5-mesylphenyl)azo]-1-naphthyl]acetamidato(2-)][2-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-nitrobenzenesulphonato(3-)]chromate(2-)
CAS number:
55039-14-0
CAS number:
55039-14-0
Synonyms
Names:
Identifier:
IUPAC name
Disodium [N-[7-hydroxy-8-[(2-hydroxy-5-mesylphenyl)azo]-1-naphthyl]acetamidato(2-)][2-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-nitrobenzenesulphonato(3-)]chromate(2-)
Identifier:
other: Molecular formula
C35H23CrN6O12S2.2Na
Identifier:
other: InChl
InChI=1S/C19H17N3O5S.C16H11N3O7S.Cr.2Na/c1-11(23)20-14-5-3-4-12-6-8-17(25)19(18(12)14)22-21-15-10-13(28(2,26)27)7-9-16(15)24;20-13-6-5-9-3-1-2-4-11(9)15(13)18-17-12-7-10(19(22)23)8-14(16(12)21)27(24,25)26;;;/h3-10,24-25H,1-2H3,(H,20,23);1-8,20-21H,(H,24,25,26);;;/q;;+3;2*+1/p-5/b22-21+;18-17-;;;
Identifier:
other: SMILES notation
[Cr+3].[Na+].[Na+].[O-]c1c(cc(cc1S(=O)([O-])=O)[N+]([O-])=O)\N=N/c2c3ccccc3ccc2[O-].CC(=O)Nc2cccc3ccc([O-])c(/N=N/c1cc(ccc1[O-])S(C)(=O)=O)c23
Chromium(III) disodium (E)-5-nitro-2-oxido-3-((7-oxidonaphthalen-1-yl)diazenyl)benzenesulfonate(E)-8-acetamido-1-((5-(methylsulfonyl)-2-oxidophenyl)diazenyl)naphthalen-2-olate

Molecular and structural information

Molecular formula:
C35H23CrN6Na2O12S2
Molecular weight:
ca. 881.7
SMILES notation:
[Cr+3].[Na+].[Na+].[O-]c1c(cc(cc1S(=O)([O-])=O)N(=O)=O)/N=N/c3cccc2ccc([O-])cc23.CC(=O)Nc2cccc3ccc([O-])c(/N=N/c1cc(ccc1[O-])S(C)(=O)=O)c23
InChl:
1S/C19H17N3O5S.C16H11N3O7S.Cr.2Na/c1-11(23)20-14-5-3-4-12-6-8-17(25)19(18(12)14)22-21-15-10-13(28(2,26)27)7-9-16(15)24;20-11-5-4-9-2-1-3-13(12(9)8-11)17-18-14-6-10(19(22)23)7-15(16(14)21)27(24,25)26;;;/h3-10,24-25H,1-2H3,(H,20,23);1-8,20-21H,(H,24,25,26);;;/q;;+3;2*+1/p-5/b22-21+;18-17+;;;
Structural formula:
Chemical structure

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