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Substance Name: (((3,5,5-Trimethylhexyl)imino)bis(methylene))bisphosphonic acid, ammonium salt
RN: 94113-30-1
InChIKey: ATFJFVFPLSFJMZ-UHFFFAOYSA-N

Molecular Formula

  • C11-H27-N-O6-P2.x-H3-N

Molecular Weight

  • 399.4061
 
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Names and Synonyms

Synonym

  • EINECS 302-562-5

Systematic Name

  • (((3,5,5-Trimethylhexyl)imino)bis(methylene))bisphosphonic acid, ammonium salt

Registry Numbers

CAS Registry Number

  • 94113-30-1

System Generated Number

  • 0094113301

Molecular Formulas

Molecular Formula

  • C11-H27-N-O6-P2.x-H3-N

Molecular Formula Fragments

  • C11-H27-N-O6-P2
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C11H27NO6P2.4H3N/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);4*1H3

InChIKey

ATFJFVFPLSFJMZ-UHFFFAOYSA-N

Smiles

P(=O)(CN(CP(=O)([O-])[O-])CCC(CC(C)(C)C)C)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]