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Substance Name: 2-Neopentyloxo-1,3-indandione calcium (2:1)
RN: 53404-72-1
UNII: IND8LYX5CN
InChIKey: JVWDFODDJRSSHF-UHFFFAOYSA-N

Molecular Weight

  • 498.5854
 
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Names and Synonyms

Name of Substance

  • 2-Neopentyloxo-1,3-indandione calcium (2:1)

Synonyms

  • 2-Neopentyloxo-1,3-indandione calcium deriv. (2:1)
  • UNII-IND8LYX5CN

Systematic Name

  • 1H-Indene-1,3(2H)-dione, 2-(2,2-dimethyl-1-oxopropyl)-, ion(1-), calcium

Registry Numbers

CAS Registry Number

  • 53404-72-1

FDA UNII

  • IND8LYX5CN

System Generated Number

  • 0053404721

Structure Descriptors

InChI

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

InChIKey

JVWDFODDJRSSHF-UHFFFAOYSA-N

Smiles

CC(C)(C)C(=O)[C-]1C(=O)c2ccccc2C1=O.CC(C)(C)C(=O)[C-]1C(=O)c2ccccc2C1=O.[Ca+2]