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Substance Name: Benzenesulfonic acid, 4,4'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo(2-hydroxy-1,3-naphthalenediyl)carbonylimino))bis-, labeled with carbon-14, disodium salt
RN: 86349-54-4
InChIKey: XDKVSNQQKQLGDG-GEWBIHMDSA-L

Molecular Weight

  • 1005.78
 
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Names and Synonyms

  • Benzenesulfonic acid, 4,4'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo(2-hydroxy-1,3-naphthalenediyl)carbonylimino))bis-, labeled with carbon-14, disodium salt

Registry Numbers

CAS Registry Number

  • 86349-54-4

System Generated Number

  • 0086349544

Structure Descriptors

InChI

1S/C46H30Cl2N6O10S2.2Na/c47-35-21-25(9-19-37(35)51-53-39-23-27-5-1-3-7-33(27)41(43(39)55)45(57)49-29-11-15-31(16-12-29)65(59,60)61)26-10-20-38(36(48)22-26)52-54-40-24-28-6-2-4-8-34(28)42(44(40)56)46(58)50-30-13-17-32(18-14-30)66(62,63)64;;/h1-24,55-56H,(H,49,57)(H,50,58)(H,59,60,61)(H,62,63,64);;/q;2*+1/p-2/b53-51+,54-52+;;

InChIKey

XDKVSNQQKQLGDG-GEWBIHMDSA-L

Smiles

c1(cc(c(cc1)\N=N\c1c(c(c2ccccc2c1)C(=O)Nc1ccc(cc1)S(=O)(=O)[O-])O)Cl)c1cc(c(cc1)\N=N\c1c(c(c2ccccc2c1)C(=O)Nc1ccc(cc1)S(=O)(=O)[O-])O)Cl.[Na+].[Na+]