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Substance Name: 4H-Benzopyran-2-carboxylic acid, 5-(2-hydroxypropoxy)-4-oxo-8-propyl-, monosodium salt
RN: 58974-94-0
InChIKey: QSTOKIKCZVNKGI-UHFFFAOYSA-N

Molecular Formula

  • C16-H16-O6.Na

Molecular Weight

  • 329.3022
 
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Names and Synonyms

Synonym

  • FPL 52694

Systematic Name

  • 4H-Benzopyran-2-carboxylic acid, 5-(2-hydroxypropoxy)-4-oxo-8-propyl-, monosodium salt

Registry Numbers

CAS Registry Number

  • 58974-94-0

Related Registry Number

  • 58974-93-9 (Parent)

System Generated Number

  • 0058974940

Molecular Formulas

Molecular Formula

  • C16-H16-O6.Na

Molecular Formula Fragments

  • C16-H16-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H18O6.Na/c1-3-4-10-5-6-12(21-8-9(2)17)14-11(18)7-13(16(19)20)22-15(10)14;/h5-7,9,17H,3-4,8H2,1-2H3,(H,19,20);/q;+1

InChIKey

QSTOKIKCZVNKGI-UHFFFAOYSA-N

Smiles

CCCc1ccc(c2c1oc(cc2=O)C(=O)O)OCC(C)O.[Na+]