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Substance Name: Disodium 2-(4-((4-((1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphonatomethyl)-3-pyridyl)azo)benzoyl)amino)phenyl)-6-methylbenzothiazole-7-sulphonate
RN: 85896-04-4
InChIKey: ANCXEFHFJOBSOB-ZIJRHPRESA-L

Molecular Formula

  • C30-H27-N5-O9-S3.2Na

Molecular Weight

  • 741.7315
 
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Names and Synonyms

Synonym

  • EINECS 288-781-6

Systematic Name

  • Disodium 2-(4-((4-((1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphonatomethyl)-3-pyridyl)azo)benzoyl)amino)phenyl)-6-methylbenzothiazole-7-sulphonate

Registry Numbers

CAS Registry Number

  • 85896-04-4

System Generated Number

  • 0085896044

Molecular Formulas

Molecular Formula

  • C30-H27-N5-O9-S3.2Na

Molecular Formula Fragments

  • C30-H27-N5-O9-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H27N5O9S3.2Na/c1-4-35-29(37)22(15-46(39,40)41)17(3)24(30(35)38)34-33-21-12-6-18(7-13-21)27(36)31-20-10-8-19(9-11-20)28-32-23-14-5-16(2)26(25(23)45-28)47(42,43)44;;/h5-14,38H,4,15H2,1-3H3,(H,31,36)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b34-33+;;

InChIKey

ANCXEFHFJOBSOB-ZIJRHPRESA-L

Smiles

CCn1c(c(c(c(c1=O)CS(=O)(=O)[O-])C)/N=N/c2ccc(cc2)C(=O)Nc3ccc(cc3)c4nc5ccc(c(c5s4)S(=O)(=O)[O-])C)O.[Na+].[Na+]