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Substance Name: Sodium hydrogen N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methylphen-3,1-ylene)methylene))bisaminoacetate S,S-dioxide
RN: 77031-64-2
InChIKey: KWJIEINUUUGCEB-UHFFFAOYSA-N

Molecular Formula

  • C27-H28-N2-O9-S.Na

Molecular Weight

  • 579.5792
 
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Names and Synonyms

Synonym

  • EINECS 278-596-9

Systematic Name

  • Sodium hydrogen N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methylphen-3,1-ylene)methylene))bisaminoacetate S,S-dioxide

Registry Numbers

CAS Registry Number

  • 77031-64-2

System Generated Number

  • 0077031642

Molecular Formulas

Molecular Formula

  • C27-H28-N2-O9-S.Na

Molecular Formula Fragments

  • C27-H28-N2-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H28N2O9S.Na/c1-15-7-19(9-17(25(15)34)11-28-13-23(30)31)27(21-5-3-4-6-22(21)39(36,37)38-27)20-8-16(2)26(35)18(10-20)12-29-14-24(32)33;/h3-10,28-29,34-35H,11-14H2,1-2H3,(H,30,31)(H,32,33);/q;+1

InChIKey

KWJIEINUUUGCEB-UHFFFAOYSA-N

Smiles

Cc1cc(cc(c1O)CNCC(=O)O)C2(c3ccccc3S(=O)(=O)O2)c4cc(c(c(c4)CNCC(=O)O)O)C.[Na+]