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Substance Name: Benzenesulfonic acid, 4-hydroxy-3-((((((2-hydroxy-5-sulfophenyl)methyl)amino)carbonyl)amino)methyl)-5-methyl-, ammonium salt (1:2)
RN: 68239-03-2
InChIKey: SZPGNGYOHQMTJL-UHFFFAOYSA-N

Molecular Formula

  • C16-H18-N2-O9-S2.2H3-N

Molecular Weight

  • 480.517
 
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Names and Synonyms

Synonym

  • EINECS 269-415-4

Systematic Names

  • Benzenesulfonic acid, 4-hydroxy-3-((((((2-hydroxy-5-sulfophenyl)methyl)amino)carbonyl)amino)methyl)-5-methyl-, ammonium salt (1:2)
  • Benzenesulfonic acid, 4-hydroxy-3-((((((2-hydroxy-5-sulfophenyl)methyl)amino)carbonyl)amino)methyl)-5-methyl-, diammonium salt
  • Diammonium 4-hydroxy-3-((((((2-hydroxy-5-sulphonatophenyl)methyl)amino)carbamoyl)methyl)-5-methylbenzenesulphonate

Registry Numbers

CAS Registry Number

  • 68239-03-2

System Generated Number

  • 0068239032

Molecular Formulas

Molecular Formula

  • C16-H18-N2-O9-S2.2H3-N

Molecular Formula Fragments

  • C16-H18-N2-O9-S2
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C16H18N2O9S2.2H3N/c1-9-4-13(29(25,26)27)6-11(15(9)20)8-18-16(21)17-7-10-5-12(28(22,23)24)2-3-14(10)19;;/h2-6,19-20H,7-8H2,1H3,(H2,17,18,21)(H,22,23,24)(H,25,26,27);2*1H3

InChIKey

SZPGNGYOHQMTJL-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)c1cc(CNC(=O)NCc2c(O)c(C)cc(S(=O)(=O)O)c2)c(O)cc1.N.N