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Substance Name: (1,1'-Biphenyl)-3,3'-dicarboxylic acid, 4-(2-(5-(2-(5-(aminosulfonyl)-2-hydroxyphenyl)diazenyl)-1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-4'-(2-(1-(((3-carboxy-4-hydroxyphenyl)amino)carbonyl)-2-oxopropyl)diazenyl)-, sodium salt (1:4)
RN: 72252-59-6
InChIKey: CKKWAQWRRWDFDW-OMYMKOHGSA-J

Molecular Formula

  • C47-H35-N9-O16-S2.4Na

Molecular Weight

  • 1133.9
 
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Names and Synonyms

Synonym

  • EINECS 276-539-2

Systematic Names

  • (1,1'-Biphenyl)-3,3'-dicarboxylic acid, 4-((5-((5-(aminosulfonyl)-2-hydroxyphenyl)azo)-1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)-4'-((1-(((3-carboxy-4-hydroxyphenyl)amino)carbonyl)-2-oxopropyl)azo)-, tetrasodium salt
  • (1,1'-Biphenyl)-3,3'-dicarboxylic acid, 4-(2-(5-(2-(5-(aminosulfonyl)-2-hydroxyphenyl)diazenyl)-1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-4'-(2-(1-(((3-carboxy-4-hydroxyphenyl)amino)carbonyl)-2-oxopropyl)diazenyl)-, sodium salt (1:4)

Registry Numbers

CAS Registry Number

  • 72252-59-6

System Generated Number

  • 0072252596

Molecular Formulas

Molecular Formula

  • C47-H35-N9-O16-S2.4Na

Molecular Formula Fragments

  • C47-H35-N9-O16-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C47H35N9O16S2.4Na/c1-22(57)40(44(61)50-26-9-15-37(58)32(19-26)47(66)67)54-51-33-12-7-23(17-30(33)45(62)63)24-8-13-34(31(18-24)46(64)65)52-56-42-39(74(70,71)72)21-29-28(43(42)60)11-14-35(49-25-5-3-2-4-6-25)41(29)55-53-36-20-27(73(48,68)69)10-16-38(36)59;;;;/h2-21,40,49,58-60H,1H3,(H,50,61)(H,62,63)(H,64,65)(H,66,67)(H2,48,68,69)(H,70,71,72);;;;/q;4*+1/p-4/b54-51+,55-53+,56-52+;;;;

InChIKey

CKKWAQWRRWDFDW-OMYMKOHGSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].c1(cc(c(cc1)\N=N\c1c(c2ccc(c(c2cc1S(=O)(=O)[O-])\N=N\c1c(ccc(c1)S(=O)(=O)N)O)Nc1ccccc1)O)C(=O)[O-])c1cc(c(cc1)\N=N\[C@@H](C(C)=O)C(=O)Nc1cc(c(cc1)O)C(=O)[O-])C(=O)[O-]