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Substance Name: 2-Anthracenesulfonic acid, 1-amino-4-((4-((4-((4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenyl)amino)-1,4-dioxo-2-buten-1-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)
RN: 71873-44-4
InChIKey: TZOKVLUYKXRULK-MOJNZBSRSA-K

Molecular Formula

  • C44-H30-N6-O15-S3.3Na

Molecular Weight

  • 1044.89
 
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Names and Synonyms

Synonym

  • EINECS 276-120-4

Systematic Names

  • 2-Anthracenesulfonic acid, 1-amino-4-((4-((4-((4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenyl)amino)-1,4-dioxo-2-buten-1-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)
  • 2-Anthracenesulfonic acid, 1-amino-4-((4-((4-((4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenyl)amino)-1,4-dioxo-2-butenyl)amino)-3-sulfophenyl)amino)-9,10-dihydro -9,10-dioxo-, trisodium salt
  • 2-Anthracenesulfonic acid, 1-amino-4-((4-((4-((4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenyl)amino)-1,4-dioxo-2-butenyl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, trisodium salt
  • Trisodium 1-amino-4-((4-((4-((4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino)phenyl)amino)-1,4-dioxobut-2-enyl)amino)-3-sulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 71873-44-4

System Generated Number

  • 0071873444

Molecular Formulas

Molecular Formula

  • C44-H30-N6-O15-S3.3Na

Molecular Formula Fragments

  • C44-H30-N6-O15-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H30N6O15S3.3Na/c45-39-31(67(60,61)62)18-28(35-37(39)43(55)25-7-3-1-5-23(25)41(35)53)47-20-9-11-21(12-10-20)49-33(51)15-16-34(52)50-27-14-13-22(17-30(27)66(57,58)59)48-29-19-32(68(63,64)65)40(46)38-36(29)42(54)24-6-2-4-8-26(24)44(38)56;;;/h1-19,47-48H,45-46H2,(H,49,51)(H,50,52)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;/q;3*+1/p-3/b16-15+;;;

InChIKey

TZOKVLUYKXRULK-MOJNZBSRSA-K

Smiles

[Na+].[Na+].[Na+].c1(c(cc(c2C(c3ccccc3C(c12)=O)=O)Nc1cc(c(cc1)NC(\C=C\C(=O)Nc1ccc(cc1)Nc1cc(c(c2C(c3ccccc3C(c12)=O)=O)N)S(=O)(=O)[O-])=O)S(=O)(=O)[O-])S(=O)(=O)[O-])N