Benfuresate

68505-69-1

CAS Name

Benfuresate

Molecular Formula

C₁₂H₁₆O₄S

Molecular Mass

256.32

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