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Substance Name: Metesculetol sodium
RN: 53285-61-3
UNII: IT78Y95F0H
InChIKey: UTRDATDGJKWVBG-UHFFFAOYSA-M

Molecular Formula

  • C12-H10-O6.Na

Molecular Weight

  • 272.1871
 
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Names and Synonyms

Name of Substance

  • Metesculetol sodium

Synonyms

  • EINECS 258-462-6
  • UNII-IT78Y95F0H

Systematic Names

  • Acetic acid, ((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-6-yl)oxy)-, monosodium salt
  • Sodium ((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-6-yl)oxy)acetate

Registry Numbers

CAS Registry Number

  • 53285-61-3

FDA UNII

  • IT78Y95F0H

Related Registry Number

  • 52814-39-8 (Parent)

System Generated Number

  • 0053285613

Molecular Formulas

Molecular Formula

  • C12-H10-O6.Na

Molecular Formula Fragments

  • C12-H10-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H10O6.Na/c1-6-2-12(16)18-9-4-8(13)10(3-7(6)9)17-5-11(14)15;/h2-4,13H,5H2,1H3,(H,14,15);/q;+1/p-1

InChIKey

UTRDATDGJKWVBG-UHFFFAOYSA-M

Smiles

[Na+].CC1=CC(=O)Oc2cc(O)c(OCC(=O)[O-])cc12