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Substance Name: 1,3-Benzenedisulfonic acid, 4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-6-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-, sodium salt (1:3)
RN: 72639-34-0
InChIKey: PVUMSTBMNJIIFM-UHFFFAOYSA-K

Molecular Formula

  • C29-H17-Cl2-N5-O12-S3.3Na

Molecular Weight

  • 860.5266
 
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Names and Synonyms

Synonym

  • 1-Amino-4-((5-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-2,4-disulfophenyl)amino)-2-sulfoanthraquinone, trisodium salt

Systematic Names

  • 1,3-Benzenedisulfonic acid, 4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-6-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-, sodium salt (1:3)
  • 1,3-Benzenedisulfonic acid, 4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-6-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-, trisodium salt

Registry Numbers

CAS Registry Number

  • 72639-34-0

System Generated Number

  • 0072639340

Molecular Formulas

Molecular Formula

  • C29-H17-Cl2-N5-O12-S3.3Na

Molecular Formula Fragments

  • C29-H17-Cl2-N5-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H17Cl2N5O12S3.3Na/c30-27-28(31)35-15-7-11(5-6-14(15)34-27)29(39)36-17-8-16(19(49(40,41)42)10-20(17)50(43,44)45)33-18-9-21(51(46,47)48)24(32)23-22(18)25(37)12-3-1-2-4-13(12)26(23)38;;;/h1-10,33H,32H2,(H,36,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;/q;3*+1/p-3

InChIKey

PVUMSTBMNJIIFM-UHFFFAOYSA-K

Smiles

c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)[O-])Nc4cc(c(cc4S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)c5ccc6c(c5)nc(c(n6)Cl)Cl.[Na+].[Na+].[Na+]