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Substance Name: 4-Amino-5-hydroxy-3-((4-(((4-((4-hydroxy-8-sulpho-1-naphthyl)azo)phenyl)amino)carbonyl)phenyl)azo)-6-(phenylazo)naphthalene-2,7-disulphonic acid
RN: 83863-54-1
InChIKey: BCXWQSXAZKUGBA-SMIYDKIVSA-N

Molecular Formula

  • C39-H28-N8-O12-S3

Molecular Weight

  • 896.8922
 
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Names and Synonyms

Synonym

  • EINECS 281-118-1

Systematic Name

  • 4-Amino-5-hydroxy-3-((4-(((4-((4-hydroxy-8-sulpho-1-naphthyl)azo)phenyl)amino)carbonyl)phenyl)azo)-6-(phenylazo)naphthalene-2,7-disulphonic acid

Registry Numbers

CAS Registry Number

  • 83863-54-1

System Generated Number

  • 0083863541

Structure Descriptors

InChI

1S/C39H28N8O12S3/c40-35-33-22(20-32(62(57,58)59)37(38(33)49)47-43-24-5-2-1-3-6-24)19-31(61(54,55)56)36(35)46-44-25-11-9-21(10-12-25)39(50)41-23-13-15-26(16-14-23)42-45-28-17-18-29(48)27-7-4-8-30(34(27)28)60(51,52)53/h1-20,48-49H,40H2,(H,41,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)/b45-42+,46-44+,47-43+

InChIKey

BCXWQSXAZKUGBA-SMIYDKIVSA-N

Smiles

c1ccc(cc1)/N=N/c2c(cc3cc(c(c(c3c2O)N)/N=N/c4ccc(cc4)C(=O)Nc5ccc(cc5)/N=N/c6ccc(c7c6c(ccc7)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O