1'-Sulfoxysafrole

Chemical Properties
Synonyms: 1'-Sulfooxysafrole
PubChem Compound ID: 125117
Molecular Weight: 258.2478 [g/mol]
Molecular Formula: C10H10O6S
XLogP3-AA: 1.3
H-Bond Donor: 1
H-Bond Acceptor: 6
IUPAC Name: 1-(1,3-benzodioxol-5-yl)prop-2-enyl hydrogen sulfate
InChI: InChI=1S/C10H10O6S/c1-2-8(16-17(11,12)13)7-3-4-9-10(5-7)15-6-14-9/h2-5,
8H,1,6H2,(H,11,12,13)
InChIKey: UMODRLCASVODSD-UHFFFAOYSA-N
Canonical SMILES: C=CC(C1=CC2=C(C=C1)OCO2)OS(=O)(=O)O
page revision: 1, last edited: 29 Jan 2013 10:25