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Substance Name: Benzenesulfonic acid, 2(or 5)-(1,1-dimethylethyl)-5(or 2)-((4-((4-(1,1-dimethylethyl)phenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-, sodium salt (1:?)
RN: 72659-70-2
InChIKey: LYQAZVYWVQVPMZ-UHFFFAOYSA-M

Molecular Formula

  • C34-H34-N2-O5-S.x-Na

Molecular Weight

  • 604.7
 
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Names and Synonyms

Synonym

  • 1-((4-(1,1-Dimethylethyl)phenyl)amino)-4-((sulfo-4-(1,1-dimethylethyl)phenyl)amino)anthraquinone, sodium salt

Systematic Names

  • Benzenesulfonic acid, 2(or 5)-(1,1-dimethylethyl)-5(or 2)-((4-((4-(1,1-dimethylethyl)phenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-, sodium salt
  • Benzenesulfonic acid, 2(or 5)-(1,1-dimethylethyl)-5(or 2)-((4-((4-(1,1-dimethylethyl)phenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 72659-70-2

System Generated Number

  • 0072659702

Molecular Formulas

Molecular Formula

  • C34-H34-N2-O5-S.x-Na

Molecular Formula Fragments

  • C34-H34-N2-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H34N2O5S.Na/c1-33(2,3)20-11-13-21(14-12-20)35-26-17-18-27(30-29(26)31(37)23-9-7-8-10-24(23)32(30)38)36-22-15-16-25(34(4,5)6)28(19-22)42(39,40)41;/h7-19,35-36H,1-6H3,(H,39,40,41);/q;+1/p-1

InChIKey

LYQAZVYWVQVPMZ-UHFFFAOYSA-M

Smiles

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