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Substance Name: 2-(3-Chloro-4-hydroxy-5-methoxybenzyl)isothiouronium dihydrogen phosphate
RN: 85422-96-4
InChIKey: AWXDPELYNAZMCA-UHFFFAOYSA-N

Molecular Formula

  • C9-H11-Cl-N2-O2-S.H3-O4-P

Molecular Weight

  • 344.7106
 
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Names and Synonyms

Synonym

  • EINECS 287-197-9

Systematic Name

  • 2-(3-Chloro-4-hydroxy-5-methoxybenzyl)isothiouronium dihydrogen phosphate

Registry Numbers

CAS Registry Number

  • 85422-96-4

System Generated Number

  • 0085422964

Molecular Formulas

Molecular Formula

  • C9-H11-Cl-N2-O2-S.H3-O4-P

Molecular Formula Fragments

  • C9-H11-Cl-N2-O2-S
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C9H11ClN2O2S.H3O4P/c1-14-7-3-5(4-15-9(11)12)2-6(10)8(7)13;1-5(2,3)4/h2-3,13H,4H2,1H3,(H3,11,12);(H3,1,2,3,4)

InChIKey

AWXDPELYNAZMCA-UHFFFAOYSA-N

Smiles

COc1cc(CSC(=[NH2+])N)cc(Cl)c1O.OP(=O)(O)[O-]