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Substance Name: 2-Anthracenesulfonic acid, 1-amino-4-((3,5-bis((benzoylamino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)
RN: 67827-61-6
InChIKey: QCTYVVWNINGBCP-UHFFFAOYSA-M

Molecular Formula

  • C39-H34-N4-O7-S.Na

Molecular Weight

  • 724.767
 
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Names and Synonyms

Synonym

  • EINECS 267-225-6

Systematic Names

  • 2-Anthracenesulfonic acid, 1-amino-4-((3,5-bis((benzoylamino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-, monosodium salt
  • 2-Anthracenesulfonic acid, 1-amino-4-((3,5-bis((benzoylamino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)
  • Sodium 1-amino-4-((3,5-bis((benzoylamino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 67827-61-6

System Generated Number

  • 0067827616

Molecular Formulas

Molecular Formula

  • C39-H34-N4-O7-S.Na

Molecular Formula Fragments

  • C39-H34-N4-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H34N4O7S.Na/c1-21-28(19-41-38(46)24-12-6-4-7-13-24)22(2)35(23(3)29(21)20-42-39(47)25-14-8-5-9-15-25)43-30-18-31(51(48,49)50)34(40)33-32(30)36(44)26-16-10-11-17-27(26)37(33)45;/h4-18,43H,19-20,40H2,1-3H3,(H,41,46)(H,42,47)(H,48,49,50);/q;+1/p-1

InChIKey

QCTYVVWNINGBCP-UHFFFAOYSA-M

Smiles

c12C(=O)c3c(N)c(S(=O)(=O)[O-])cc(Nc4c(C)c(CNC(=O)c5ccccc5)c(C)c(CNC(=O)c5ccccc5)c4C)c3C(=O)c1cccc2.[Na+]