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Substance Name: 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(2,5-disulfophenyl)diazenyl)-5-hydroxy-6-(2-(3-phosphonophenyl)diazenyl)-, ammonium sodium salt (1:4:1)
RN: 70815-21-3
InChIKey: MLLIUNXIOHFTKT-LXSSCOCESA-M

Molecular Formula

  • C22-H18-N5-O16-P-S4.4H3-N.Na

Molecular Weight

  • 857.7461
 
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Names and Synonyms

Synonym

  • 4-Amino-5-hydroxy-6-((3-phosphonophenyl)azo)-3-((2,5-disulfophenyl)azo)-2,7-naphthalenedisulfonic acid, monosodium tetraammonium salt

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-amino-3-((2,5-disulfophenyl)azo)-5-hydroxy-6-((3-phosphonophenyl)azo)-, tetraammonium monosodium salt
  • 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(2,5-disulfophenyl)diazenyl)-5-hydroxy-6-(2-(3-phosphonophenyl)diazenyl)-, ammonium sodium salt (1:4:1)

Registry Numbers

CAS Registry Number

  • 70815-21-3

System Generated Number

  • 0070815213

Molecular Formulas

Molecular Formula

  • C22-H18-N5-O16-P-S4.4H3-N.Na

Molecular Formula Fragments

  • C22-H18-N5-O16-P-S4
  • COMPONENT
  • H3-N
  • Na

Structure Descriptors

InChI

1S/C22H18N5O16PS4.4H3N.Na/c23-19-18-10(7-17(48(41,42)43)21(22(18)28)27-24-11-2-1-3-12(8-11)44(29,30)31)6-16(47(38,39)40)20(19)26-25-14-9-13(45(32,33)34)4-5-15(14)46(35,36)37;;;;;/h1-9,28H,23H2,(H2,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);4*1H3;/q;;;;;+1/p-1/b26-25+,27-24+;;;;;

InChIKey

MLLIUNXIOHFTKT-LXSSCOCESA-M

Smiles

c1cc(cc(c1)P(=O)([O-])[O-])/N=N/c2c(cc3cc(c(c(c3c2O)N)/N=N/c4cc(ccc4S(=O)(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].[Na+]