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Substance Name: Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)
RN: 5793-87-3
InChIKey: LUULGDQBMOTIRA-UHFFFAOYSA-L

Molecular Formula

  • C7-H12-O6.1/2Ca

Molecular Weight

  • 422.394
 
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Names and Synonyms

Synonym

  • EINECS 227-333-6

Systematic Name

  • Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)

Registry Numbers

CAS Registry Number

  • 5793-87-3

System Generated Number

  • 0005793873

Molecular Formulas

Molecular Formula

  • C7-H12-O6.1/2Ca

Molecular Formula Fragments

  • C7-H12-O6
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C7H12O6.Ca/c2*8-3-1-7(13,6(11)12)2-4(9)5(3)10;/h2*3-5,8-10,13H,1-2H2,(H,11,12);/q;;+2/p-2

InChIKey

LUULGDQBMOTIRA-UHFFFAOYSA-L

Smiles

C1(O)(C[C@@H](O)C(O)[C@@H](O)C1)C(=O)[O-].[Ca+2].C1(C[C@@H](O)C([C@@H](C1)O)O)(C(=O)[O-])O