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Substance Name: Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-4-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, sodium salt (1:4)
RN: 62698-59-3
InChIKey: CYEFGNIYEPRRPM-UHFFFAOYSA-J

Molecular Formula

  • C31-H32-N2-O13-S.4Na

Molecular Weight

  • 760.589
 
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Names and Synonyms

  • Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-4-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, sodium salt (1:4)
  • Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-4-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, tetrasodium salt

Registry Numbers

CAS Registry Number

  • 62698-59-3

System Generated Number

  • 0062698593

Molecular Formulas

Molecular Formula

  • C31-H32-N2-O13-S.4Na

Molecular Formula Fragments

  • C31-H32-N2-O13-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H32N2O13S.4Na/c1-17-7-24(34)19(11-32(13-27(36)37)14-28(38)39)9-22(17)31(21-5-3-4-6-26(21)47(44,45)46-31)23-10-20(25(35)8-18(23)2)12-33(15-29(40)41)16-30(42)43;;;;/h3-10,34-35H,11-16H2,1-2H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43);;;;/q;4*+1/p-4

InChIKey

CYEFGNIYEPRRPM-UHFFFAOYSA-J

Smiles

c12c(C(OS2(=O)=O)(c2cc(c(cc2C)O)CN(CC([O-])=O)CC([O-])=O)c2c(C)cc(O)c(CN(CC(=O)[O-])CC(=O)[O-])c2)cccc1.[Na+].[Na+].[Na+].[Na+]