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Substance Name: Ammonium sodium 2-((5-carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphonatophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonate
RN: 85068-60-6
InChIKey: KVCSBTHYBMQOAU-BRSPAKPMSA-L

Molecular Formula

  • C27-H25-N6-O12-P-S2.x-H3-N.x-Na

Molecular Weight

  • 798.6561
 
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Names and Synonyms

Synonym

  • EINECS 285-317-4

Systematic Name

  • Ammonium sodium 2-((5-carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphonatophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 85068-60-6

System Generated Number

  • 0085068606

Molecular Formulas

Molecular Formula

  • C27-H25-N6-O12-P-S2.x-H3-N.x-Na

Molecular Formula Fragments

  • C27-H25-N6-O12-P-S2
  • COMPONENT
  • H3-N
  • Na

Structure Descriptors

InChI

1S/C27H25N6O12PS2.2H3N.2Na/c1-15-23(25(28)34)26(35)33(12-11-16-5-8-20(9-6-16)47(40,41)42)27(36)24(15)32-31-21-10-7-18(14-22(21)48(43,44)45)30-29-17-3-2-4-19(13-17)46(37,38)39;;;;/h2-10,13-14,36H,11-12H2,1H3,(H2,28,34)(H2,37,38,39)(H,40,41,42)(H,43,44,45);2*1H3;;/q;;;2*+1/p-2/b30-29+,32-31+;;;;

InChIKey

KVCSBTHYBMQOAU-BRSPAKPMSA-L

Smiles

Cc1c(c(=O)n(c(c1/N=N/c2ccc(cc2S(=O)(=O)[O-])/N=N/c3cccc(c3)P(=O)([O-])[O-])O)CCc4ccc(cc4)S(=O)(=O)[O-])C(=O)N.[NH4+].[NH4+].[Na+].[Na+]