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Substance Name: Benzoic acid, 2-(2,7-bis((bis(carboxymethyl)amino)methyl)-6-hydroxy-3-oxo-3H-xanthen-9-yl)-, sodium salt (1:4)
RN: 62698-56-0
InChIKey: WCODCQAZATVMQI-UHFFFAOYSA-J

Molecular Formula

  • C30-H26-N2-O13.4Na

Molecular Weight

  • 710.465
 
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Names and Synonyms

Synonym

  • EINECS 263-702-8

Systematic Names

  • Benzoic acid, 2-(2,7-bis(((carboxymethyl)amino)methyl)-6-hydroxy-3-oxo-3H-xanthen-9-yl)-, tetrasodium salt
  • Benzoic acid, 2-(2,7-bis((bis(carboxymethyl)amino)methyl)-6-hydroxy-3-oxo-3H-xanthen-9-yl)-, sodium salt (1:4)
  • Tetrasodium 2-(2,7-bis((bis(carboxylatomethyl)amino)methyl)-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoate

Registry Numbers

CAS Registry Number

  • 62698-56-0

System Generated Number

  • 0062698560

Molecular Formulas

Molecular Formula

  • C30-H26-N2-O13.4Na

Molecular Formula Fragments

  • C30-H26-N2-O13
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H26N2O13.4Na/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)29(17-3-1-2-4-18(17)30(43)44)20-6-16(22(34)8-24(20)45-23)10-32(13-27(39)40)14-28(41)42;;;;/h1-8,33H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44);;;;/q;4*+1/p-4

InChIKey

WCODCQAZATVMQI-UHFFFAOYSA-J

Smiles

c12oc3cc(=O)c(CN(CC(=O)[O-])CC(=O)[O-])cc3c(c3c(C(O)=O)cccc3)c1cc(CN(CC(=O)[O-])CC(=O)[O-])c(O)c2.[Na+].[Na+].[Na+].[Na+]