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Substance Name: Disodium 2-methyl-4-((4-((4-((3-tolyl)amino)phenyl)(4-((3-methyl-4-sulphonatophenyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)amino)benzenesulphonate
RN: 95873-57-7
InChIKey: BSYWGPDWFWXDCJ-GJMSZTFCSA-L

Molecular Formula

  • C40-H35-N3-O6-S2.2Na

Molecular Weight

  • 761.8277
 
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Names and Synonyms

Synonym

  • EINECS 306-047-6

Systematic Name

  • Disodium 2-methyl-4-((4-((4-((3-tolyl)amino)phenyl)(4-((3-methyl-4-sulphonatophenyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)amino)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 95873-57-7

System Generated Number

  • 0095873577

Molecular Formulas

Molecular Formula

  • C40-H35-N3-O6-S2.2Na

Molecular Formula Fragments

  • C40-H35-N3-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H35N3O6S2.2Na/c1-26-5-4-6-35(23-26)41-32-13-7-29(8-14-32)40(30-9-15-33(16-10-30)42-36-19-21-38(27(2)24-36)50(44,45)46)31-11-17-34(18-12-31)43-37-20-22-39(28(3)25-37)51(47,48)49;;/h4-25,41-42H,1-3H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2/b40-31-,43-34-;;

InChIKey

BSYWGPDWFWXDCJ-GJMSZTFCSA-L

Smiles

S(=O)(=O)(c1c(cc(/N=C2\C=C/C(=C(\c3ccc(Nc4cc(c(S(=O)(=O)[O-])cc4)C)cc3)c3ccc(Nc4cc(ccc4)C)cc3)C=C2)cc1)C)[O-].[Na+].[Na+]