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Substance Name: 4-(2,3-Bis(bis(carboxymethylamino))propyl)phenyl isothiocyanate
RN: 94344-71-5
InChIKey: VHMWJVAFPCGUTJ-AWEZNQCLSA-N

Molecular Weight

  • 439.443
 
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Names and Synonyms

Name of Substance

  • 4-(2,3-Bis(bis(carboxymethylamino))propyl)phenyl isothiocyanate

Synonyms

  • Benzylisothiocyanato-edta
  • Bitc-edta

Systematic Name

  • Glycine, N,N'-(1-((4-isothiocyanatophenyl)methyl)-1,2-ethanediyl)bis(N-(carboxymethyl)-, (S)-

Registry Numbers

CAS Registry Number

  • 94344-71-5

System Generated Number

  • 0094344715

Structure Descriptors

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)/t14-/m0/s1

InChIKey

VHMWJVAFPCGUTJ-AWEZNQCLSA-N

Smiles

c1cc(ccc1N=C=S)C[C@@H](CN(CC(O)=O)CC(=O)O)N(CC(O)=O)CC(O)=O