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Substance Name: 6-Acetamido-4-hydroxy-3-((4-((2-(phosphonooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid, sodium salt
RN: 94109-41-8
InChIKey: HPFLNKFPMGYUNQ-DQUNTQLESA-K

Molecular Formula

  • C20-H20-N3-O11-P-S2.x-Na

Molecular Weight

  • 639.4403
 
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Names and Synonyms

Synonym

  • EINECS 302-482-0

Systematic Name

  • 6-Acetamido-4-hydroxy-3-((4-((2-(phosphonooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 94109-41-8

System Generated Number

  • 0094109418

Molecular Formulas

Molecular Formula

  • C20-H20-N3-O11-P-S2.x-Na

Molecular Formula Fragments

  • C20-H20-N3-O11-P-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H20N3O11PS2.3Na/c1-12(24)21-15-3-2-13-10-18(37(31,32)33)19(20(25)17(13)11-15)23-22-14-4-6-16(7-5-14)36(29,30)9-8-34-35(26,27)28;;;/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H2,26,27,28)(H,31,32,33);;;/q;3*+1/p-3/b23-22+;;;

InChIKey

HPFLNKFPMGYUNQ-DQUNTQLESA-K

Smiles

c1(S(=O)(=O)[O-])c(/N=N/c2ccc(S(=O)(=O)CCOP(=O)([O-])[O-])cc2)c(c2c(c1)ccc(NC(=O)C)c2)O.[Na+].[Na+].[Na+]