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Substance Name: 5-(Acetylamino)-4-hydroxy-1-((4-((4-((4-sulfophenyl)diazenyl)anilino)carbonyl)phenyl)diazenyl)-2,7-naphthalenedisulfonic acid
RN: 6949-08-2
InChIKey: WSMRDOHCZBMPRD-XGMUGIETSA-N

Molecular Formula

  • C31-H24-N6-O12-S3

Molecular Weight

  • 768.7586
 
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Names and Synonyms

Synonym

  • NSC 65837

Systematic Name

  • 5-(Acetylamino)-4-hydroxy-1-((4-((4-((4-sulfophenyl)diazenyl)anilino)carbonyl)phenyl)diazenyl)-2,7-naphthalenedisulfonic acid

Registry Numbers

CAS Registry Number

  • 6949-08-2

System Generated Number

  • 0006949082

Structure Descriptors

InChI

1S/C31H24N6O12S3/c1-17(38)32-26-15-24(51(44,45)46)14-25-29(26)27(39)16-28(52(47,48)49)30(25)37-36-20-4-2-18(3-5-20)31(40)33-19-6-8-21(9-7-19)34-35-22-10-12-23(13-11-22)50(41,42)43/h2-16,39H,1H3,(H,32,38)(H,33,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)/b35-34+,37-36+

InChIKey

WSMRDOHCZBMPRD-XGMUGIETSA-N

Smiles

CC(=O)Nc1cc(cc2c1c(cc(c2/N=N/c3ccc(cc3)C(=O)Nc4ccc(cc4)/N=N/c5ccc(cc5)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O