[4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methylidene-but-3-enyl]-3-methylsulfonyloxy-phenyl] methanesulfonate

Systemtic Name: [4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methylidene-but-3-enyl]-3-methylsulfonyloxy-phenyl] methanesulfonate Openeye Name: [4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methylene-but-3-enyl]-3-methylsulfonyloxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methylenebut-3-enyl]-3-methylsulfonyloxyphenyl] ester IUPAC Name: [4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methylidenebut-3-enyl]-3-methylsulfonyloxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(2-methylene-3-piperonyl-but-3-enyl)-3-methylsulfonyloxy-phenyl] ester Formula: C21H22O8S2 MolecularWeight: 466.52458

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC(=C(C=C1)CC(=C)C(=C)CC2=CC3=C(C=C2)OCO3)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OC1=CC(=C(C=C1)CC(=C)C(=C)CC2=CC3=C(C=C2)OCO3)OS(=O)(=O)C

InChI

InChI=1S/C21H22O8S2/c1-14(9-16-5-8-19-21(11-16)27-13-26-19)15(2)10-17-6-7-18(28-30(3,22)23)12-20(17)29-31(4,24)25/h5-8,11-12H,1-2,9-10,13H2,3-4H3