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Substance Name: 2-Anthracenesulfonic acid, 1-amino-4-((3-((benzoylamino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)
RN: 67827-60-5
InChIKey: OFHDOLUPOLKDSG-UHFFFAOYSA-M

Molecular Formula

  • C31-H27-N3-O6-S.Na

Molecular Weight

  • 591.617
 
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Names and Synonyms

Synonym

  • EINECS 267-224-0

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 67827-60-5

System Generated Number

  • 0067827605

Molecular Formulas

Molecular Formula

  • C31-H27-N3-O6-S.Na

Molecular Formula Fragments

  • C31-H27-N3-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H27N3O6S.Na/c1-16-13-17(2)28(18(3)22(16)15-33-31(37)19-9-5-4-6-10-19)34-23-14-24(41(38,39)40)27(32)26-25(23)29(35)20-11-7-8-12-21(20)30(26)36;/h4-14,34H,15,32H2,1-3H3,(H,33,37)(H,38,39,40);/q;+1/p-1

InChIKey

OFHDOLUPOLKDSG-UHFFFAOYSA-M

Smiles

c12c(C(=O)c3c(C1=O)cccc3)c(Nc1c(c(CNC(=O)c3ccccc3)c(cc1C)C)C)cc(c2N)S(=O)(=O)[O-].[Na+]