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Substance Name: Benzoic acid, 3,3'-(carbonylbis(imino(2-methyl-4,1-phenylene)-2,1-diazenediyl-4,1-phenylenecarbonylimino))bis(2-hydroxy-5-sulfo-, sodium salt (1:4)
RN: 6420-28-6
InChIKey: UUZBXSFVAQSWJD-QSUZDMJLSA-J

Molecular Formula

  • C43-H34-N8-O15-S2.4Na

Molecular Weight

  • 1054.84
 
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Names and Synonyms

Synonyms

  • 1,1'-(Carbonyldiimino)bis(4-((4-(((3-carboxy-2-hydroxy-5-sulfophenyl)amino)carbonyl)phenyl)azo)-3-methylbenzene), tetrasodium salt
  • EINECS 229-153-3

Systematic Names

  • Benzoic acid, 3,3'-(carbonylbis(imino(2-methyl-4,1-phenylene)-2,1-diazenediyl-4,1-phenylenecarbonylimino))bis(2-hydroxy-5-sulfo-, sodium salt (1:4)
  • Benzoic acid, 3,3'-(carbonylbis(imino(2-methyl-4,1-phenylene)azo-4,1-phenylenecarbonylimino))bis(2-hydroxy-5-sulfo-, tetrasodium salt
  • Tetrasodium 3,3'-(carbonylbis(imino(2-methyl-4,1-phenylene)azo-4,1-phenylenecarbonylimino))bis(5-sulphonatosalicylate)

Registry Numbers

CAS Registry Number

  • 6420-28-6

Other Registry Number

  • 60033-73-0

System Generated Number

  • 0006420286

Molecular Formulas

Molecular Formula

  • C43-H34-N8-O15-S2.4Na

Molecular Formula Fragments

  • C43-H34-N8-O15-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C43H34N8O15S2.4Na/c1-21-31(5-3-7-33(21)50-48-25-13-9-23(10-14-25)39(54)44-35-19-27(67(61,62)63)17-29(37(35)52)41(56)57)46-43(60)47-32-6-4-8-34(22(32)2)51-49-26-15-11-24(12-16-26)40(55)45-36-20-28(68(64,65)66)18-30(38(36)53)42(58)59;;;;/h3-20,52-53H,1-2H3,(H,44,54)(H,45,55)(H,56,57)(H,58,59)(H2,46,47,60)(H,61,62,63)(H,64,65,66);;;;/q;4*+1/p-4/b50-48+,51-49+;;;;

InChIKey

UUZBXSFVAQSWJD-QSUZDMJLSA-J

Smiles

c1(cccc(NC(Nc2c(c(ccc2)\N=N\c2ccc(cc2)C(Nc2c(c(cc(c2)S([O-])(=O)=O)C(=O)[O-])O)=O)C)=O)c1C)\N=N\c1ccc(C(Nc2c(c(cc(S([O-])(=O)=O)c2)C(=O)[O-])O)=O)cc1.[Na+].[Na+].[Na+].[Na+]