carboxy (2S)-4,6-dimethyl-5-(2-methylsulfonyloxypropyl)-1,3-benzodioxole-2-carboxylate

Systemtic Name: carboxy (2S)-4,6-dimethyl-5-(2-methylsulfonyloxypropyl)-1,3-benzodioxole-2-carboxylate Openeye Name: carboxy (2S)-4,6-dimethyl-5-(2-methylsulfonyloxypropyl)-1,3-benzodioxole-2-carboxylate CAS Name: (2S)-4,6-dimethyl-5-(2-methylsulfonyloxypropyl)-1,3-benzodioxole-2-carboxylic acid carboxy ester IUPAC Name: carboxy (2S)-4,6-dimethyl-5-(2-methylsulfonyloxypropyl)-1,3-benzodioxole-2-carboxylate Traditional Name: (2S)-4,6-dimethyl-5-(2-methylsulfonyloxypropyl)-1,3-benzodioxole-2-carboxylic acid carboxy ester Formula: C15H18O9S MolecularWeight: 374.36302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1CC(C)OS(=O)(=O)C)C)OC(O2)C(=O)OC(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C1CC(C)OS(=O)(=O)C)C)O[C@H](O2)C(=O)OC(=O)O

InChI

InChI=1S/C15H18O9S/c1-7-5-11-12(22-14(21-11)13(16)23-15(17)18)9(3)10(7)6-8(2)24-25(4,19)20/h5,8,14H,6H2,1-4H3,(H,17,18)/t8?,14-/m0/s1