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Substance Name: Trisodium 1-amino-4-((4- amino-9,10-dihydro-9,10-dioxosulphonato-1-anthryl)amino)-9,10-dihydro-9,10-dioxoanthracenedisulphonate
RN: 85305-21-1
InChIKey: APPPISONUINDBQ-UHFFFAOYSA-K

Molecular Formula

  • C28-H17-N3-O13-S3.3Na

Molecular Weight

  • 765.5946
 
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Names and Synonyms

Synonym

  • EINECS 286-659-7

Systematic Name

  • Trisodium 1-amino-4-((4- amino-9,10-dihydro-9,10-dioxosulphonato-1-anthryl)amino)-9,10-dihydro-9,10-dioxoanthracenedisulphonate

Registry Numbers

CAS Registry Number

  • 85305-21-1

System Generated Number

  • 0085305211

Molecular Formulas

Molecular Formula

  • C28-H17-N3-O13-S3.3Na

Molecular Formula Fragments

  • C28-H17-N3-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H17N3O13S3.3Na/c29-13-7-3-6-12-18(13)27(35)19-14(30)8-16(45(36,37)38)23(21(19)26(12)34)31-15-9-17(46(39,40)41)28(47(42,43)44)22-20(15)24(32)10-4-1-2-5-11(10)25(22)33;;;/h1-9,31H,29-30H2,(H,36,37,38)(H,39,40,41)(H,42,43,44);;;/q;3*+1/p-3

InChIKey

APPPISONUINDBQ-UHFFFAOYSA-K

Smiles

c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-])Nc4c(cc(c5c4C(=O)c6cccc(c6C5=O)N)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]