Benfuresate

CAS Registry Number®

68505-69-1

CAS Name

Benfuresate

Molecular Formula

C12H16O4S

Molecular Mass

256.32

Cite this Page

Benfuresate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68505-69-1 (retrieved 2024-11-25) (CAS RN: 68505-69-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    30.1 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3

InChIKey

InChIKey=QGQSRQPXXMTJCM-UHFFFAOYSA-N

SMILES

CC1(C)C=2C(OC1)=CC=C(OS(CC)(=O)=O)C2

Canonical SMILES

O=S(=O)(OC1=CC=C2OCC(C2=C1)(C)C)CC

Other Names for this Substance

  • Ethanesulfonic acid, 2,3-dihydro-3,3-dimethyl-5-benzofuranyl ester
  • NC 20484
  • Benfuresate
  • NS 112
  • Zerbex

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