[(E)-4-(1,3-benzodioxol-5-yl)-3-(methylsulfonyloxymethyl)but-3-enyl] methanesulfonate

Systemtic Name: [(E)-4-(1,3-benzodioxol-5-yl)-3-(methylsulfonyloxymethyl)but-3-enyl] methanesulfonate Openeye Name: [(E)-4-(1,3-benzodioxol-5-yl)-3-(methylsulfonyloxymethyl)but-3-enyl] methanesulfonate CAS Name: methanesulfonic acid [(E)-4-(1,3-benzodioxol-5-yl)-3-(methylsulfonyloxymethyl)but-3-enyl] ester IUPAC Name: [(E)-4-(1,3-benzodioxol-5-yl)-3-(methylsulfonyloxymethyl)but-3-enyl] methanesulfonate Traditional Name: methanesulfonic acid [(E)-4-(1,3-benzodioxol-5-yl)-3-(methylsulfonyloxymethyl)but-3-enyl] ester Formula: C14H18O8S2 MolecularWeight: 378.41792

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC(=CC1=CC2=C(C=C1)OCO2)COS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OCC/C(=C\C1=CC2=C(C=C1)OCO2)/COS(=O)(=O)C

InChI

InChI=1S/C14H18O8S2/c1-23(15,16)21-6-5-12(9-22-24(2,17)18)7-11-3-4-13-14(8-11)20-10-19-13/h3-4,7-8H,5-6,9-10H2,1-2H3/b12-7+