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Substance Name: Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, sodium salt (1:4)
RN: 62698-54-8
InChIKey: KSMPPVYJZJBIES-UHFFFAOYSA-J

Molecular Formula

  • C32-H32-N2-O12.4Na

Molecular Weight

  • 724.535
 
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Names and Synonyms

  • Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, sodium salt (1:4)
  • Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, tetrasodium salt

Registry Numbers

CAS Registry Number

  • 62698-54-8

Related Registry Number

  • 2411-89-4 (Parent)

System Generated Number

  • 0062698548

Molecular Formulas

Molecular Formula

  • C32-H32-N2-O12.4Na

Molecular Formula Fragments

  • C32-H32-N2-O12
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H32N2O12.4Na/c1-17-7-21(9-19(29(17)43)11-33(13-25(35)36)14-26(37)38)32(24-6-4-3-5-23(24)31(45)46-32)22-8-18(2)30(44)20(10-22)12-34(15-27(39)40)16-28(41)42;;;;/h3-10,43-44H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;;/q;4*+1/p-4

InChIKey

KSMPPVYJZJBIES-UHFFFAOYSA-J

Smiles

c1(cc(c(c(C)c1)O)CN(CC(=O)[O-])CC(=O)[O-])C1(OC(c2c1cccc2)=O)c1cc(C)c(O)c(CN(CC(=O)[O-])CC(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+]