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Substance Name: 3-(3-Oxo-1-phenylbutyl)-4-sodiooxy-2H-1-benzopyran-2-one
RN: 5543-79-3
InChIKey: KYITYFHKDODNCQ-UHFFFAOYSA-M

Molecular Formula

  • C19-H16-O4.Na

Molecular Weight

  • 330.3135
 
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Names and Synonyms

Synonym

  • EINECS 226-909-4

Systematic Name

  • 3-(3-Oxo-1-phenylbutyl)-4-sodiooxy-2H-1-benzopyran-2-one

Registry Numbers

CAS Registry Number

  • 5543-79-3

System Generated Number

  • 0005543793

Molecular Formulas

Molecular Formula

  • C19-H16-O4.Na

Molecular Formula Fragments

  • C19-H16-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1

InChIKey

KYITYFHKDODNCQ-UHFFFAOYSA-M

Smiles

c1(c(c2c(oc1=O)cccc2)O[Na])C(CC(=O)C)c1ccccc1