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Substance Name: Dihydrogen (4-((4-(dimethylamino)-3-sulphonatophenyl)(2-ethoxy-4-(2-sulphonato-p-toluidino)phenyl)methylene)-2-sulphonatocyclohexa-2,5-dien-1-ylidene)dimethylammonium, disodium salt
RN: 94135-52-1
InChIKey: NJAVBZXBMHFDIX-UXPSCRIASA-M

Molecular Formula

  • C32-H35-N3-O10-S3.2Na

Molecular Weight

  • 779.8403
 
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Names and Synonyms

Synonym

  • EINECS 302-921-6

Systematic Name

  • Dihydrogen (4-((4-(dimethylamino)-3-sulphonatophenyl)(2-ethoxy-4-(2-sulphonato-p-toluidino)phenyl)methylene)-2-sulphonatocyclohexa-2,5-dien-1-ylidene)dimethylammonium, disodium salt

Registry Numbers

CAS Registry Number

  • 94135-52-1

System Generated Number

  • 0094135521

Molecular Formulas

Molecular Formula

  • C32-H35-N3-O10-S3.2Na

Molecular Formula Fragments

  • C32-H35-N3-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H38N4O10S3.2Na/c1-5-46-27-17-23(35-25-10-6-20(2)14-28(25)47(37,38)39)8-9-24(27)31(21-7-11-26(36(3)4)29(15-21)48(40,41)42)22-12-13-32(18-33,19-34)30(16-22)49(43,44)45;;/h6-17,35H,5,18-19,33-34H2,1-4H3,(H,37,38,39)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-1/b31-22+;;

InChIKey

NJAVBZXBMHFDIX-UXPSCRIASA-M

Smiles

S(=O)(=O)(c1c(ccc(/C(=C2\C=C(S(=O)(=O)[O-])C(C=C2)(C[NH3+])C[NH3+])c2c(cc(Nc3c(S(=O)(=O)[O-])cc(cc3)C)cc2)OCC)c1)N(C)C)[O-].[Na+].[Na+]