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Substance Name: 2-Anthracenesulfonic acid, 1-amino-4-((4-(benzoylamino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
RN: 4913-28-4
InChIKey: PKXUWWYFRJXWSR-UHFFFAOYSA-L

Molecular Formula

  • C27-H19-N3-O9-S2.2Na

Molecular Weight

  • 637.555
 
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Names and Synonyms

Synonym

  • 2-Anthraquinonesulfonic acid, 1-amino-4-((4-(benzoylamino)-3-sulfophenyl)amino)-, disodium salt

Systematic Names

  • 2-Anthracenesulfonic acid, 1-amino-4-((4-(benzoylamino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt
  • 2-Anthracenesulfonic acid, 1-amino-4-((4-(benzoylamino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)

Registry Numbers

CAS Registry Number

  • 4913-28-4

System Generated Number

  • 0004913284

Molecular Formulas

Molecular Formula

  • C27-H19-N3-O9-S2.2Na

Molecular Formula Fragments

  • C27-H19-N3-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H19N3O9S2.2Na/c28-24-21(41(37,38)39)13-19(22-23(24)26(32)17-9-5-4-8-16(17)25(22)31)29-15-10-11-18(20(12-15)40(34,35)36)30-27(33)14-6-2-1-3-7-14;;/h1-13,29H,28H2,(H,30,33)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2

InChIKey

PKXUWWYFRJXWSR-UHFFFAOYSA-L

Smiles

c12C(=O)c3c(N)c(S(=O)(=O)[O-])cc(Nc4cc(S(=O)(=O)[O-])c(NC(=O)c5ccccc5)cc4)c3C(=O)c1cccc2.[Na+].[Na+]