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Substance Name: Calcium benzylphthalate
RN: 23239-68-1
UNII: 6TD60L99BW
InChIKey: IJQRJDMNTRRHKB-UHFFFAOYSA-L

Molecular Formula

  • C15-H12-O4.1/2Ca

Molecular Weight

  • 550.5738
 
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Names and Synonyms

Name of Substance

  • Calcium benzylphthalate

Synonyms

  • EINECS 245-515-3
  • UNII-6TD60L99BW

Systematic Name

  • Calcium dibenzyl diphthalate

Registry Numbers

CAS Registry Number

  • 23239-68-1

FDA UNII

  • 6TD60L99BW

Related Registry Number

  • 2528-16-7 (Parent)

System Generated Number

  • 0023239681

Molecular Formulas

Molecular Formula

  • C15-H12-O4.1/2Ca

Molecular Formula Fragments

  • C15-H12-O4
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C15H12O4.Ca/c2*16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11;/h2*1-9H,10H2,(H,16,17);/q;;+2/p-2

InChIKey

IJQRJDMNTRRHKB-UHFFFAOYSA-L

Smiles

[Ca+2].[O-]C(=O)c1ccccc1C(=O)OCc2ccccc2.[O-]C(=O)c3ccccc3C(=O)OCc4ccccc4