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Substance Name: Calcium salicylate, compound with 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
RN: 94135-53-2
InChIKey: GDDSFMMICZTVCA-UHFFFAOYSA-L

Molecular Formula

  • C7-H8-N4-O2.C7-H6-O3.Ca

Molecular Weight

  • 494.4712
 
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Names and Synonyms

Synonym

  • EINECS 302-922-1

Systematic Name

  • Calcium salicylate, compound with 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Registry Numbers

CAS Registry Number

  • 94135-53-2

System Generated Number

  • 0094135532

Molecular Formulas

Molecular Formula

  • C7-H8-N4-O2.C7-H6-O3.Ca

Molecular Formula Fragments

  • C7-H6-O3
  • C7-H8-N4-O2
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8N4O2.2C7H6O3.Ca/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;2*8-6-4-2-1-3-5(6)7(9)10;/h3H,1-2H3,(H,9,12,13);2*1-4,8H,(H,9,10);/q;;;+2/p-2

InChIKey

GDDSFMMICZTVCA-UHFFFAOYSA-L

Smiles

c12c(c(=O)[nH]c(=O)n1C)n(cn2)C.c1(C(=O)[O-])c(O)cccc1.c1(C(=O)[O-])c(O)cccc1.[Ca+2]