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Substance Name: Benzenesulfonic acid, 2-(2-(5-(aminocarbonyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulfophenyl)ethyl)-3-pyridinyl)diazenyl)-5-(2-(3-phosphonophenyl)diazenyl)-, ammonium salt (1:3)
RN: 70815-26-8
InChIKey: DUDUIKKQFLHRAF-JBGWIPDCSA-N

Molecular Formula

  • C27-H25-N6-O12-P-S2.3H3-N

Molecular Weight

  • 771.7226
 
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Names and Synonyms

  • Benzenesulfonic acid, 2-((5-(aminocarbonyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulfophenyl)ethyl)-3-pyridinyl)azo)-5-((3-phosphonophenyl)azo)-, triammonium salt
  • Benzenesulfonic acid, 2-(2-(5-(aminocarbonyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulfophenyl)ethyl)-3-pyridinyl)diazenyl)-5-(2-(3-phosphonophenyl)diazenyl)-, ammonium salt (1:3)

Registry Numbers

CAS Registry Number

  • 70815-26-8

System Generated Number

  • 0070815268

Molecular Formulas

Molecular Formula

  • C27-H25-N6-O12-P-S2.3H3-N

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C27H25N6O12PS2.3H3N/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);3*1H3/b30-29+,32-31+;;;

InChIKey

DUDUIKKQFLHRAF-JBGWIPDCSA-N

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+].[NH4+]