Isothiocyanobenzyl EDTA

CAS Registry Number®

105394-74-9
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CAS Name

Isothiocyanobenzyl EDTA

Molecular Formula

C18H21N3O8S

Molecular Mass

439.44

Cite this Page

Isothiocyanobenzyl EDTA.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=105394-74-9 (retrieved 2024-03-29) (CAS RN: 105394-74-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H21N3O8S/c22-15(23)7-20(8-16(24)25)6-14(21(9-17(26)27)10-18(28)29)5-12-1-3-13(4-2-12)19-11-30/h1-4,14H,5-10H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)

InChIKey

InChIKey=VHMWJVAFPCGUTJ-UHFFFAOYSA-N

SMILES

C(N(CC(O)=O)CC(O)=O)(CC1=CC=C(N=C=S)C=C1)CN(CC(O)=O)CC(O)=O

Canonical SMILES

O=C(O)CN(CC(=O)O)CC(N(CC(=O)O)CC(=O)O)CC1=CC=C(N=C=S)C=C1

Other Names for this Substance

  • Glycine, N,N′-[1-[(4-isothiocyanatophenyl)methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)-
  • N,N′-[1-[(4-Isothiocyanatophenyl)methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)glycine]
  • 1B4M-EDTA
  • Isothiocyanobenzyl EDTA
  • 1-(4-Isothiocyanobenzylethylenediamine-N,N,N′,N′-tetraacetic acid

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