Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]-2-fluoro-5-nitrobenzoate

CAS Registry Number®

911485-85-3

CAS Name

Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]-2-fluoro-5-nitrobenzoate

Molecular Formula

C13H14FNO6S

Molecular Mass

331.32

Cite this Page

Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]-2-fluoro-5-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=911485-85-3 (retrieved 2024-10-06) (CAS RN: 911485-85-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H14FNO6S/c1-3-20-12(16)7-22-11-6-9(14)8(13(17)21-4-2)5-10(11)15(18)19/h5-6H,3-4,7H2,1-2H3

InChIKey

InChIKey=VONLTXKMYDGKKG-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(SCC(OCC)=O)C=C(F)C(C(OCC)=O)=C1

Canonical SMILES

O=C(OCC)C=1C=C(C(SCC(=O)OCC)=CC1F)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-2-fluoro-5-nitro-, ethyl ester
  • Ethyl 4-[(2-ethoxy-2-oxoethyl)thio]-2-fluoro-5-nitrobenzoate

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