3-[(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]propanoic acid

CAS Registry Number®

926204-58-2
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CAS Name

3-[(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]propanoic acid

Molecular Formula

C12H14O6S

Molecular Mass

286.30

Cite this Page

3-[(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=926204-58-2 (retrieved 2024-08-25) (CAS RN: 926204-58-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H14O6S/c13-12(14)4-7-19(15,16)9-2-3-10-11(8-9)18-6-1-5-17-10/h2-3,8H,1,4-7H2,(H,13,14)

InChIKey

InChIKey=ZUBRSJTYKYZRJW-UHFFFAOYSA-N

SMILES

S(CCC(O)=O)(=O)(=O)C=1C=C2C(=CC1)OCCCO2

Canonical SMILES

O=C(O)CCS(=O)(=O)C1=CC=C2OCCCOC2=C1

Other Names for this Substance

  • Propanoic acid, 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-
  • 3-[(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]propanoic acid