carboxy 4,6-diethyl-5-[2-(4-methylphenyl)sulfonyloxypropyl]-1,3-benzodioxole-2-carboxylate

Systemtic Name: carboxy 4,6-diethyl-5-[2-(4-methylphenyl)sulfonyloxypropyl]-1,3-benzodioxole-2-carboxylate Openeye Name: carboxy 4,6-diethyl-5-[2-(p-tolylsulfonyloxy)propyl]-1,3-benzodioxole-2-carboxylate CAS Name: 4,6-diethyl-5-[2-(4-methylphenyl)sulfonyloxypropyl]-1,3-benzodioxole-2-carboxylic acid carboxy ester IUPAC Name: carboxy 4,6-diethyl-5-[2-(4-methylphenyl)sulfonyloxypropyl]-1,3-benzodioxole-2-carboxylate Traditional Name: 4,6-diethyl-5-(2-tosyloxypropyl)-1,3-benzodioxole-2-carboxylic acid carboxy ester Formula: C23H26O9S MolecularWeight: 478.51214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C1CC(C)OS(=O)(=O)C3=CC=C(C=C3)C)CC)OC(O2)C(=O)OC(=O)O

Isomeric SMILES

CCC1=CC2=C(C(=C1CC(C)OS(=O)(=O)C3=CC=C(C=C3)C)CC)OC(O2)C(=O)OC(=O)O

InChI

InChI=1S/C23H26O9S/c1-5-15-12-19-20(30-22(29-19)21(24)31-23(25)26)17(6-2)18(15)11-14(4)32-33(27,28)16-9-7-13(3)8-10-16/h7-10,12,14,22H,5-6,11H2,1-4H3,(H,25,26)