(6-Nitro-1,3-benzodioxol-5-yl)methyl 2-thiophenecarboxylate

CAS Registry Number®

331460-12-9
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CAS Name

(6-Nitro-1,3-benzodioxol-5-yl)methyl 2-thiophenecarboxylate

Molecular Formula

C13H9NO6S

Molecular Mass

307.28

Cite this Page

(6-Nitro-1,3-benzodioxol-5-yl)methyl 2-thiophenecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=331460-12-9 (retrieved 2024-08-02) (CAS RN: 331460-12-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H9NO6S/c15-13(12-2-1-3-21-12)18-6-8-4-10-11(20-7-19-10)5-9(8)14(16)17/h1-5H,6-7H2

InChIKey

InChIKey=VEMKDUHOZUGHAM-UHFFFAOYSA-N

SMILES

C(OC(=O)C1=CC=CS1)C2=C(N(=O)=O)C=C3C(=C2)OCO3

Canonical SMILES

O=C(OCC1=CC=2OCOC2C=C1N(=O)=O)C=3SC=CC3

Other Names for this Substance

  • 2-Thiophenecarboxylic acid, (6-nitro-1,3-benzodioxol-5-yl)methyl ester
  • (6-Nitro-1,3-benzodioxol-5-yl)methyl 2-thiophenecarboxylate