5-(2-methylsulfonyloxypropyl)-1,3-benzodioxole-2,2-dicarboxylate

Systemtic Name: 5-(2-methylsulfonyloxypropyl)-1,3-benzodioxole-2,2-dicarboxylate Openeye Name: 5-(2-methylsulfonyloxypropyl)-1,3-benzodioxole-2,2-dicarboxylate CAS Name: 5-(2-methylsulfonyloxypropyl)-1,3-benzodioxole-2,2-dicarboxylate IUPAC Name: 5-(2-methylsulfonyloxypropyl)-1,3-benzodioxole-2,2-dicarboxylate Traditional Name: 5-(2-methylsulfonyloxypropyl)-1,3-benzodioxole-2,2-dicarboxylate Formula: C13H12O9S-2 MolecularWeight: 344.29398

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)[O-])C(=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)[O-])C(=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C13H14O9S/c1-7(22-23(2,18)19)5-8-3-4-9-10(6-8)21-13(20-9,11(14)15)12(16)17/h3-4,6-7H,5H2,1-2H3,(H,14,15)(H,16,17)/p-2