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Substance Name: 1H-Xantheno(2,1,9-def)isoquinolinedisulfonic acid, 2,3-dihydro-2-(2-hydroxyethyl)-1,3-dioxo-, compd. with 2-aminoethanol (1:2)
RN: 72845-94-4
InChIKey: QVBXNCYILVOQRY-UHFFFAOYSA-N

Molecular Formula

  • C20-H13-N-O10-S2.2C2-H7-N-O

Molecular Weight

  • 613.6183
 
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Names and Synonyms

Synonym

  • Xanthane(2,1,9-def)isoquinolinedisulfonic acid, 2-(2-hydroxyethyl)-1,3-dioxo-, bis(2-ethanolamine) salt

Systematic Name

  • 1H-Xantheno(2,1,9-def)isoquinolinedisulfonic acid, 2,3-dihydro-2-(2-hydroxyethyl)-1,3-dioxo-, compd. with 2-aminoethanol (1:2)

Registry Numbers

CAS Registry Number

  • 72845-94-4

System Generated Number

  • 0072845944

Molecular Formulas

Molecular Formula

  • C20-H13-N-O10-S2.2C2-H7-N-O

Molecular Formula Fragments

  • C2-H7-N-O
  • C20-H13-N-O10-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H13NO10S2.2C2H7NO/c22-6-5-21-19(23)11-2-1-10-13-7-9(32(25,26)27)8-15(33(28,29)30)18(13)31-14-4-3-12(20(21)24)16(11)17(10)14;2*3-1-2-4/h1-4,7-8,22H,5-6H2,(H,25,26,27)(H,28,29,30);2*4H,1-3H2

InChIKey

QVBXNCYILVOQRY-UHFFFAOYSA-N

Smiles

c1cc2c3c(ccc4c3c1c5cc(cc(c5o4)S(=O)(=O)[O-])S(=O)(=O)[O-])c(=O)n(c2=O)CCO.C(CO)[NH3+].C(CO)[NH3+]