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Substance Name: 3-Hydroxy-4-((4-((4-((4-((1-hydroxy-4-sulfo-2-naphthyl)diazenyl)benzoyl)amino)phenyl)thio)phenyl)diazenyl)-2,7-naphthalenedisulfonic acid
RN: 7354-85-0
InChIKey: RXJXYDYQOHZFJG-CHQNLTHESA-N

Molecular Formula

  • C39-H27-N5-O12-S4

Molecular Weight

  • 885.9293
 
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Names and Synonyms

Synonym

  • NSC 65858

Systematic Name

  • 3-Hydroxy-4-((4-((4-((4-((1-hydroxy-4-sulfo-2-naphthyl)diazenyl)benzoyl)amino)phenyl)thio)phenyl)diazenyl)-2,7-naphthalenedisulfonic acid

Registry Numbers

CAS Registry Number

  • 7354-85-0

System Generated Number

  • 0007354850

Structure Descriptors

InChI

1S/C39H27N5O12S4/c45-37-32-4-2-1-3-31(32)34(59(51,52)53)21-33(37)43-41-25-7-5-22(6-8-25)39(47)40-24-9-13-27(14-10-24)57-28-15-11-26(12-16-28)42-44-36-30-18-17-29(58(48,49)50)19-23(30)20-35(38(36)46)60(54,55)56/h1-21,45-46H,(H,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)/b43-41+,44-42+

InChIKey

RXJXYDYQOHZFJG-CHQNLTHESA-N

Smiles

c1ccc2c(c1)c(cc(c2O)/N=N/c3ccc(cc3)C(=O)Nc4ccc(cc4)Sc5ccc(cc5)/N=N/c6c7ccc(cc7cc(c6O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O