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Substance Name: Valone, calcium salt
RN: 23710-76-1
UNII: 2Q3705641I
InChIKey: FUJGTABRLHWABI-UHFFFAOYSA-N

Molecular Formula

  • C28-H24-O6.Ca

Molecular Weight

  • 498.585
 
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Names and Synonyms

Name of Substance

  • Valone, calcium salt

Synonyms

  • 2-Isovaleryl-1,3-indandione calcium salt
  • Caswell No. 515A
  • EPA Pesticide Chemical Code 067706
  • Isotrac
  • Isovalelyl
  • UNII-2Q3705641I

Systematic Name

  • 1,3-Indandione, 2-isovaleryl-, ion(1-), calcium

Superlist Name

  • Calcium 2-isovaleryl-1,3-indandione

Registry Numbers

CAS Registry Number

  • 23710-76-1

FDA UNII

  • 2Q3705641I

System Generated Number

  • 0023710761

Molecular Formulas

Molecular Formula

  • C28-H24-O6.Ca

Molecular Formula Fragments

  • C28-H24-O6
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C14H13O3.Ca/c2*1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17;/h2*3-6,8H,7H2,1-2H3;/q2*-1;+2

InChIKey

FUJGTABRLHWABI-UHFFFAOYSA-N

Smiles

c1cc2c(cc1)C(=O)[C-](C(CC(C)C)=O)C2=O.c1ccc2c(c1)C([C-](C2=O)C(CC(C)C)=O)=O.[Ca+2]