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Substance Name: Crandallite
RN: 1318-36-1
InChIKey: XUEWRCWTPVFWNN-UHFFFAOYSA-C

Molecular Formula

  • Al3-Ca-H5-O13-P2.H2-O

Molecular Weight

  • 414.0133
 
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Names and Synonyms

  • Crandallite

Registry Numbers

CAS Registry Number

  • 1318-36-1

System Generated Number

  • 0001318361

Molecular Formulas

Molecular Formula

  • Al3-Ca-H5-O13-P2.H2-O

Molecular Formula Fragments

  • Al3-Ca-H5-O13-P2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/3Al.Ca.2H3O4P.6H2O/c;;;;2*1-5(2,3)4;;;;;;/h;;;;2*(H3,1,2,3,4);6*1H2/q3*+3;+2;;;;;;;;/p-11

InChIKey

XUEWRCWTPVFWNN-UHFFFAOYSA-C

Smiles

O.[OH-].[OH-].[OH-].[OH-].[OH-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Al+3].[Al+3].[Al+3].[Ca+2]