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Substance Name: Benzenesulfonic acid, 2-((9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)amino)-5-methyl-, sodium salt (1:1)
RN: 71195-66-9
InChIKey: HBWKFBRUDAQBCZ-UHFFFAOYSA-M

Molecular Formula

  • C28-H22-N2-O5-S.Na

Molecular Weight

  • 520.539
 
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Names and Synonyms

Synonym

  • EINECS 275-258-2

Systematic Names

  • Benzenesulfonic acid, 2-((9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)amino)-5-methyl-, monosodium salt
  • Benzenesulfonic acid, 2-((9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)amino)-5-methyl-, sodium salt (1:1)
  • Sodium 4-((9,10-dihydro-9,10-dioxo-4-(p-tolylamino)-1-anthryl)amino)toluene-3-sulphonate

Registry Numbers

CAS Registry Number

  • 71195-66-9

System Generated Number

  • 0071195669

Molecular Formulas

Molecular Formula

  • C28-H22-N2-O5-S.Na

Molecular Formula Fragments

  • C28-H22-N2-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H22N2O5S.Na/c1-16-7-10-18(11-8-16)29-22-13-14-23(30-21-12-9-17(2)15-24(21)36(33,34)35)26-25(22)27(31)19-5-3-4-6-20(19)28(26)32;/h3-15,29-30H,1-2H3,(H,33,34,35);/q;+1/p-1

InChIKey

HBWKFBRUDAQBCZ-UHFFFAOYSA-M

Smiles

[Na+].c1(c(ccc(c1)C)Nc1ccc(c2C(c3ccccc3C(c12)=O)=O)Nc1ccc(cc1)C)S(=O)(=O)[O-]