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Substance Name: Sodium 4-((4,8-diamino-3,7-dibromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino)toluene-3-sulphonate
RN: 83027-42-3
InChIKey: NWIVJLXHYXNBIE-UHFFFAOYSA-M

Molecular Formula

  • C21-H15-Br2-N3-O5-S.Na

Molecular Weight

  • 603.2216
 
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Names and Synonyms

Synonym

  • EINECS 280-145-6

Systematic Names

  • Benzenesulfonic acid, 2-((4,8-diamino-3,7-dibromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-5-methyl-, monosodium salt
  • Sodium 4-((4,8-diamino-3,7-dibromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino)toluene-3-sulphonate

Registry Numbers

CAS Registry Number

  • 83027-42-3

System Generated Number

  • 0083027423

Molecular Formulas

Molecular Formula

  • C21-H15-Br2-N3-O5-S.Na

Molecular Formula Fragments

  • C21-H15-Br2-N3-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H15Br2N3O5S.Na/c1-8-2-5-12(14(6-8)32(29,30)31)26-13-7-11(23)19(25)17-16(13)21(28)15-9(20(17)27)3-4-10(22)18(15)24;/h2-7,26H,24-25H2,1H3,(H,29,30,31);/q;+1/p-1

InChIKey

NWIVJLXHYXNBIE-UHFFFAOYSA-M

Smiles

Cc1ccc(c(c1)S(=O)(=O)[O-])Nc2cc(c(c3c2C(=O)c4c(ccc(c4N)Br)C3=O)N)Br.[Na+]