2-(1,3-benzodioxol-5-ylmethyl)-3-methylsulfonyloxy-propanoate

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-methylsulfonyloxy-propanoate Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-methylsulfonyloxy-propanoate CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-methylsulfonyloxypropanoate IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-methylsulfonyloxypropanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(methylsulfonyloxymethyl)propionate Formula: C12H13O7S- MolecularWeight: 301.29242

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC(CC1=CC2=C(C=C1)OCO2)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCC(CC1=CC2=C(C=C1)OCO2)C(=O)[O-]

InChI

InChI=1S/C12H14O7S/c1-20(15,16)19-6-9(12(13)14)4-8-2-3-10-11(5-8)18-7-17-10/h2-3,5,9H,4,6-7H2,1H3,(H,13,14)/p-1