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Substance Name: Disodium 2',2'''-(azoxydi-4,1-phenylene)bis(6-methyl(2,6'-bibenzothiazole)-7-sulphonate)
RN: 85800-10-8
InChIKey: RBLUILMHJPETJM-AVUJKCLGSA-L

Molecular Formula

  • C42-H26-N6-O7-S6.2Na

Molecular Weight

  • 967.0942
 
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Names and Synonyms

Synonym

  • EINECS 288-595-5

Systematic Name

  • Disodium 2',2'''-(azoxydi-4,1-phenylene)bis(6-methyl(2,6'-bibenzothiazole)-7-sulphonate)

Registry Numbers

CAS Registry Number

  • 85800-10-8

System Generated Number

  • 0085800108

Molecular Formulas

Molecular Formula

  • C42-H26-N6-O7-S6.2Na

Molecular Formula Fragments

  • C42-H26-N6-O7-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H30N6O7S6.2Na/c1-23-3-15-33-37(39(23)60(50,51)52)58-41(45-33,27-9-17-31-35(19-27)56-21-43-31)25-5-11-29(12-6-25)47-48(49)30-13-7-26(8-14-30)42(28-10-18-32-36(20-28)57-22-44-32)46-34-16-4-24(2)40(38(34)59-42)61(53,54)55;;/h3-14,17-22H,15-16H2,1-2H3,(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2/b48-47-;;

InChIKey

RBLUILMHJPETJM-AVUJKCLGSA-L

Smiles

C12=C(S(=O)(=O)[O-])C(=CCC2=NC(S1)(c1cc2scnc2cc1)c1ccc(/[N+](=N/c2ccc(C3(N=C4C(=C(S(=O)(=O)[O-])C(=CC4)C)S3)c3cc4scnc4cc3)cc2)[O-])cc1)C.[Na+].[Na+]