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Substance Name: Lithium sodium 6-amino-5-((4-((3-chloro-1-oxo-3-(phenylsulphonyl)propyl)amino)-2-sulphonatophenyl)azo)-4-hydroxynaphthalene-2-sulphonate
RN: 83006-76-2
InChIKey: BRWTXRVJRUPYAB-NFOZGECASA-L

Molecular Formula

  • C25-H21-Cl-N4-O10-S3.x-Li.x-Na

Molecular Weight

  • 697.0251
 
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Names and Synonyms

Synonym

  • EINECS 280-126-2

Systematic Name

  • Lithium sodium 6-amino-5-((4-((3-chloro-1-oxo-3-(phenylsulphonyl)propyl)amino)-2-sulphonatophenyl)azo)-4-hydroxynaphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 83006-76-2

System Generated Number

  • 0083006762

Molecular Formulas

Molecular Formula

  • C25-H21-Cl-N4-O10-S3.x-Li.x-Na

Molecular Formula Fragments

  • C25-H21-Cl-N4-O10-S3
  • COMPONENT
  • Li
  • Na

Structure Descriptors

InChI

1S/C25H21ClN4O10S3.Li.Na/c26-22(41(33,34)16-4-2-1-3-5-16)13-23(32)28-15-7-9-19(21(11-15)43(38,39)40)29-30-25-18(27)8-6-14-10-17(42(35,36)37)12-20(31)24(14)25;;/h1-12,22,31H,13,27H2,(H,28,32)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b30-29+;;

InChIKey

BRWTXRVJRUPYAB-NFOZGECASA-L

Smiles

[Li+].c1ccc(cc1)S(=O)(=O)C(CC(=O)Nc2ccc(c(c2)S(=O)(=O)[O-])/N=N/c3c(ccc4c3c(cc(c4)S(=O)(=O)[O-])O)N)Cl.[Na+]