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Substance Name: 4,4'-(Methylenebis((2,6-dimethyl-4,1-phenylene)imino))bis(1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic)acid, sodium salt
RN: 97416-96-1
InChIKey: PJLSQYOYPVUXBC-UHFFFAOYSA-N

Molecular Formula

  • C45-H36-N4-O10-S2.x-Na

Molecular Weight

  • 879.9194
 
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Names and Synonyms

Synonym

  • EINECS 306-845-4

Systematic Name

  • 4,4'-(Methylenebis((2,6-dimethyl-4,1-phenylene)imino))bis(1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic)acid, sodium salt

Registry Numbers

CAS Registry Number

  • 97416-96-1

System Generated Number

  • 0097416961

Molecular Formulas

Molecular Formula

  • C45-H36-N4-O10-S2.x-Na

Molecular Formula Fragments

  • C45-H36-N4-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C45H36N4O10S2.Na/c1-20-13-24(14-21(2)40(20)48-30-18-32(60(54,55)56)38(46)36-34(30)42(50)26-9-5-7-11-28(26)44(36)52)17-25-15-22(3)41(23(4)16-25)49-31-19-33(61(57,58)59)39(47)37-35(31)43(51)27-10-6-8-12-29(27)45(37)53;/h5-16,18-19,48-49H,17,46-47H2,1-4H3,(H,54,55,56)(H,57,58,59);/q;+1

InChIKey

PJLSQYOYPVUXBC-UHFFFAOYSA-N

Smiles

Cc1cc(cc(c1Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)O)C)Cc5cc(c(c(c5)C)Nc6cc(c(c7c6C(=O)c8ccccc8C7=O)N)S(=O)(=O)O)C.[Na+]