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Substance Name: 5-((4-((4-((2,4-Diamino-5-methyl-3-((4-((4-sulfophenyl)diazenyl)phenyl)diazenyl)phenyl)diazenyl)phenyl)thio)phenyl)diazenyl)-2-hydroxybenzoic acid
RN: 6949-20-8
InChIKey: JUBYYWGZHFFWRG-SZDQTFHFSA-N

Molecular Formula

  • C38-H30-N10-O6-S2

Molecular Weight

  • 786.851
 
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Names and Synonyms

Synonym

  • NSC 65856

Systematic Name

  • 5-((4-((4-((2,4-Diamino-5-methyl-3-((4-((4-sulfophenyl)diazenyl)phenyl)diazenyl)phenyl)diazenyl)phenyl)thio)phenyl)diazenyl)-2-hydroxybenzoic acid

Registry Numbers

CAS Registry Number

  • 6949-20-8

System Generated Number

  • 0006949208

Structure Descriptors

InChI

1S/C38H30N10O6S2/c1-22-20-33(36(40)37(35(22)39)48-45-24-4-2-23(3-5-24)41-42-27-10-17-31(18-11-27)56(52,53)54)47-44-26-8-15-30(16-9-26)55-29-13-6-25(7-14-29)43-46-28-12-19-34(49)32(21-28)38(50)51/h2-21,49H,39-40H2,1H3,(H,50,51)(H,52,53,54)/b42-41+,46-43+,47-44+,48-45+

InChIKey

JUBYYWGZHFFWRG-SZDQTFHFSA-N

Smiles

Cc1cc(c(c(c1N)/N=N/c2ccc(cc2)/N=N/c3ccc(cc3)S(=O)(=O)O)N)/N=N/c4ccc(cc4)Sc5ccc(cc5)/N=N/c6ccc(c(c6)C(=O)O)O