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Substance Name: 2-Anthracenesulfonic acid, 8-((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxo-, sodium salt (1:?)
RN: 72828-68-3
InChIKey: FSNNTIUWZWTFTK-UHFFFAOYSA-L

Molecular Formula

  • C27-H28-N2-O9-S2.x-Na

Molecular Weight

  • 632.619
 
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Names and Synonyms

Synonym

  • 8-((4-(1,1-Dimethylethyl)-2-sulfophenyl)amino)-1-hydroxy-5-((1-methylethyl)amino)anthraquinone-2-sulfonic acid, sodium salt

Systematic Names

  • 2-Anthracenesulfonic acid, 8-((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxo-, sodium salt
  • 2-Anthracenesulfonic acid, 8-((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1-hydroxy-5-((1-methylethyl)amino)-9,10-dioxo-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 72828-68-3

System Generated Number

  • 0072828683

Molecular Formulas

Molecular Formula

  • C27-H28-N2-O9-S2.x-Na

Molecular Formula Fragments

  • C27-H28-N2-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H28N2O9S2.2Na/c1-13(2)28-17-9-10-18(29-16-8-6-14(27(3,4)5)12-20(16)40(36,37)38)23-22(17)24(30)15-7-11-19(39(33,34)35)25(31)21(15)26(23)32;;/h6-13,28-29,31H,1-5H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

InChIKey

FSNNTIUWZWTFTK-UHFFFAOYSA-L

Smiles

[Na+].[Na+].c1(c(ccc2C(c3c(ccc(c3C(c12)=O)Nc1c(cc(cc1)C(C)(C)C)S(=O)(=O)[O-])NC(C)C)=O)S(=O)(=O)[O-])O