2-(1,3-benzodioxol-5-yl)-2-methyl-3-methylsulfonyloxy-propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-methyl-3-methylsulfonyloxy-propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-methyl-3-methylsulfonyloxy-propanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-methyl-3-methylsulfonyloxypropanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-methyl-3-methylsulfonyloxypropanoic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-methyl-3-methylsulfonyloxy-propionic acid Formula: C12H14O7S MolecularWeight: 302.30036

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Descriptors Computed from Structure

Canonical SMILES:

CC(COS(=O)(=O)C)(C1=CC2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

CC(COS(=O)(=O)C)(C1=CC2=C(C=C1)OCO2)C(=O)O

InChI

InChI=1S/C12H14O7S/c1-12(11(13)14,6-19-20(2,15)16)8-3-4-9-10(5-8)18-7-17-9/h3-5H,6-7H2,1-2H3,(H,13,14)