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Substance Name: Disodium 4-((4-(bis(4-((4-sulphonatophenyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)amino)benzenesulphonate
RN: 6415-98-1
InChIKey: MCPLVIGCWWTHFH-UHFFFAOYSA-L

Molecular Formula

  • C37-H29-N3-O9-S3.2Na

Molecular Weight

  • 799.8103
 
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Names and Synonyms

Synonym

  • EINECS 229-121-9

Systematic Names

  • Benzenesulfonic acid, 4-((4-(bis(4-((4-sulfophenyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)amino)-, disodium salt
  • Disodium 4-((4-(bis(4-((4-sulphonatophenyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)amino)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 6415-98-1

Other Registry Number

  • 38738-61-3

System Generated Number

  • 0006415981

Molecular Formulas

Molecular Formula

  • C37-H29-N3-O9-S3.2Na

Molecular Formula Fragments

  • C37-H29-N3-O9-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2

InChIKey

MCPLVIGCWWTHFH-UHFFFAOYSA-L

Smiles

c1cc(ccc1C(=C2C=CC(=Nc3ccc(cc3)S(=O)(=O)O)C=C2)c4ccc(cc4)Nc5ccc(cc5)S(=O)(=O)[O-])Nc6ccc(cc6)S(=O)(=O)[O-].[Na+].[Na+]