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Substance Name: Trisodium 5,8-bis((4-(1,1-dimethylethyl)-2-sulphonatophenyl)amino)-9,10-dihydro-1,4-dihydroxy-9,10-dioxoanthracene-2-sulphonate
RN: 83006-69-3
InChIKey: CUPNGHZDSXEEBW-UHFFFAOYSA-K

Molecular Formula

  • C34-H34-N2-O13-S3.3Na

Molecular Weight

  • 840.7879
 
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Names and Synonyms

Synonym

  • EINECS 280-118-9

Systematic Names

  • 2-Anthracenesulfonic acid, 5,8-bis((4-(1,1-dimethylethyl)-2-sulfophenyl)amino)-9,10-dihydro-1,4-dihydroxy-9,10-dioxo-, trisodium salt
  • Trisodium 5,8-bis((4-(1,1-dimethylethyl)-2-sulphonatophenyl)amino)-9,10-dihydro-1,4-dihydroxy-9,10-dioxoanthracene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 83006-69-3

System Generated Number

  • 0083006693

Molecular Formulas

Molecular Formula

  • C34-H34-N2-O13-S3.3Na

Molecular Formula Fragments

  • C34-H34-N2-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H34N2O13S3.3Na/c1-33(2,3)16-7-9-18(23(13-16)50(41,42)43)35-20-11-12-21(36-19-10-8-17(34(4,5)6)14-24(19)51(44,45)46)27-26(20)31(39)28-22(37)15-25(52(47,48)49)30(38)29(28)32(27)40;;;/h7-15,35-38H,1-6H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3

InChIKey

CUPNGHZDSXEEBW-UHFFFAOYSA-K

Smiles

CC(C)(C)c1ccc(c(c1)S(=O)(=O)[O-])Nc2ccc(c3c2C(=O)c4c(cc(c(c4C3=O)O)S(=O)(=O)[O-])O)Nc5ccc(cc5S(=O)(=O)[O-])C(C)(C)C.[Na+].[Na+].[Na+]