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Substance Name: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methyl-2-sulfophenyl)amino)-9,10-dioxo-, compd. with N-octyl-1-octanamine (1:2)
RN: 68631-08-3
InChIKey: ZAAWZNMLEGKRDJ-UHFFFAOYSA-N

Molecular Formula

  • C21-H16-N2-O8-S2.2C16-H35-N

Molecular Weight

  • 1027.52
 
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Names and Synonyms

Synonym

  • 1-Amino-9,10-dihydro-9,10-dioxo-4-(2-sulfo-p-toluidino)-2-anthracenesulfonic acid, bis(N,N-dioctylamine salt)

Systematic Name

  • 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methyl-2-sulfophenyl)amino)-9,10-dioxo-, compd. with N-octyl-1-octanamine (1:2)

Registry Numbers

CAS Registry Number

  • 68631-08-3

System Generated Number

  • 0068631083

Molecular Formulas

Molecular Formula

  • C21-H16-N2-O8-S2.2C16-H35-N

Molecular Formula Fragments

  • C16-H35-N
  • C21-H16-N2-O8-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H16N2O8S2.2C18H39N/c1-10-6-7-13(15(8-10)32(26,27)28)23-14-9-16(33(29,30)31)19(22)18-17(14)20(24)11-4-2-3-5-12(11)21(18)25;2*1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h2-9,23H,22H2,1H3,(H,26,27,28)(H,29,30,31);2*19H,3-18H2,1-2H3

InChIKey

ZAAWZNMLEGKRDJ-UHFFFAOYSA-N

Smiles

c12C(=O)c3c(N)c(S(=O)(=O)O)cc(Nc4c(S(=O)(=O)O)cc(C)cc4)c3C(=O)c1cccc2.CCCCCCCCCNCCCCCCCCC.CCCCCCCCCNCCCCCCCCC