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Substance Name: Disodium dihydrogen N,N'-((3-oxo-(3H)-isobenzofuran-1-ylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxylatomethyl)glycinate)
RN: 94442-10-1
InChIKey: URMSJFDNSPGTSG-XVSWSKOJSA-M

Molecular Formula

  • C32-H32-N2-O12.2Na

Molecular Weight

  • 658.5889
 
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Names and Synonyms

Synonym

  • EINECS 305-335-9

Systematic Name

  • Disodium dihydrogen N,N'-((3-oxo-(3H)-isobenzofuran-1-ylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxylatomethyl)glycinate)

Registry Numbers

CAS Registry Number

  • 94442-10-1

System Generated Number

  • 0094442101

Molecular Formulas

Molecular Formula

  • C32-H32-N2-O12.2Na

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C32H32N2O12.Na/c1-17-7-19(9-21(30(17)43)11-33(13-25(35)36)14-26(37)38)29(23-5-3-4-6-24(23)32(45)46)20-8-18(2)31(44)22(10-20)12-34(15-27(39)40)16-28(41)42;/h3-10,43H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,45,46);/q;+1/p-1/b29-20-;

InChIKey

URMSJFDNSPGTSG-XVSWSKOJSA-M

Smiles

Cc1cc(cc(c1O)CN(CC(=O)O)CC(=O)O)/C(=C/2\C=C(C(=O)C(=C2)CN(CC(=O)O)CC(=O)O)C)/c3ccccc3C(=O)[O-].[Na+]