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Substance Name: Phytic acid, hexacopper (II) salt
RN: 63903-50-4
InChIKey: GSTJMZSVSXIKES-BQYPOXACSA-B

Molecular Formula

  • C6-H6-O24-P6.6Cu

Molecular Weight

  • 1029.2094
 
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Names and Synonyms

Synonym

  • Hexacopper(II) phytate

Systematic Name

  • Phytic acid, hexacopper (II) salt

Registry Numbers

CAS Registry Number

  • 63903-50-4

System Generated Number

  • 0063903504

Molecular Formulas

Molecular Formula

  • C6-H6-O24-P6.6Cu

Molecular Formula Fragments

  • C6-H6-O24-P6
  • COMPONENT
  • Cu

Structure Descriptors

InChI

1S/C6H18O24P6.6Cu/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;;;;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;/q;6*+2/p-12/t1-,2-,3-,4+,5-,6-;;;;;;

InChIKey

GSTJMZSVSXIKES-BQYPOXACSA-B

Smiles

[C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2]