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Substance Name: Benzoic acid, 2-hydroxy-5-(2-(4-((((2-methoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)-, lithium salt (1:2)
RN: 75627-13-3
InChIKey: YXXQBZMCWJHBOK-WKLYGGTQSA-L

Molecular Formula

  • C27-H22-N6-O8-S.2Li

Molecular Weight

  • 602.437
 
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Names and Synonyms

Synonym

  • Benzoic acid, 2-hydroxy-5-((4-((((2-methoxy-4-((3-sulfophenyl)azo)phenyl)amino)carbonyl)amino)phenyl)azo)-, dilithium salt

Systematic Names

  • Benzoic acid, 2-hydroxy-5-((4-((((2-methoxy-4-((3-sulfophenyl)azo)phenyl)amino)carbonyl)amino)phenyl)azo)-, dilithium salt
  • Benzoic acid, 2-hydroxy-5-(2-(4-((((2-methoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)-, lithium salt (1:2)

Registry Numbers

CAS Registry Number

  • 75627-13-3

System Generated Number

  • 0075627133

Molecular Formulas

Molecular Formula

  • C27-H22-N6-O8-S.2Li

Molecular Formula Fragments

  • C27-H22-N6-O8-S
  • COMPONENT
  • Li

Structure Descriptors

InChI

1S/C27H22N6O8S.2Li/c1-41-25-15-20(33-31-18-3-2-4-21(13-18)42(38,39)40)9-11-23(25)29-27(37)28-16-5-7-17(8-6-16)30-32-19-10-12-24(34)22(14-19)26(35)36;;/h2-15,34H,1H3,(H,35,36)(H2,28,29,37)(H,38,39,40);;/q;2*+1/p-2/b32-30+,33-31+;;

InChIKey

YXXQBZMCWJHBOK-WKLYGGTQSA-L

Smiles

[Li+].[Li+].COc1cc(ccc1NC(=O)Nc2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)[O-])O)/N=N/c4cccc(c4)S(=O)(=O)[O-]