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Substance Name: Sodium 5-tert-butyl-2-((9,10-dihydro-8-hydroxy-4-(isopropylamino)-9,10-dioxoanthryl)amino)benzenesulphonate
RN: 83027-44-5
InChIKey: YADQTBGQEQYFKY-UHFFFAOYSA-M

Molecular Formula

  • C27-H28-N2-O6-S.Na

Molecular Weight

  • 530.5743
 
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Names and Synonyms

Synonym

  • EINECS 280-147-7

Systematic Names

  • Benzenesulfonic acid, 2-((9,10-dihydro-8-hydroxy-4-((1-methylethyl)amino)-9,10-dioxo-1-anthracenyl)amino)-5-(1,1-dimethylethyl)-, monosodium salt
  • Sodium 5-tert-butyl-2-((9,10-dihydro-8-hydroxy-4-(isopropylamino)-9,10-dioxoanthryl)amino)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 83027-44-5

System Generated Number

  • 0083027445

Molecular Formulas

Molecular Formula

  • C27-H28-N2-O6-S.Na

Molecular Formula Fragments

  • C27-H28-N2-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H28N2O6S.Na/c1-14(2)28-18-11-12-19(24-23(18)25(31)16-7-6-8-20(30)22(16)26(24)32)29-17-10-9-15(27(3,4)5)13-21(17)36(33,34)35;/h6-14,28-30H,1-5H3,(H,33,34,35);/q;+1/p-1

InChIKey

YADQTBGQEQYFKY-UHFFFAOYSA-M

Smiles

CC(C)Nc1ccc(c2c1C(=O)c3cccc(c3C2=O)O)Nc4ccc(cc4S(=O)(=O)[O-])C(C)(C)C.[Na+]