5-[2-(4-methylphenyl)sulfonyloxypropyl]-1,3-benzodioxole-2,2-dicarboxylic acid

Systemtic Name: 5-[2-(4-methylphenyl)sulfonyloxypropyl]-1,3-benzodioxole-2,2-dicarboxylic acid Openeye Name: 5-[2-(p-tolylsulfonyloxy)propyl]-1,3-benzodioxole-2,2-dicarboxylic acid CAS Name: 5-[2-(4-methylphenyl)sulfonyloxypropyl]-1,3-benzodioxole-2,2-dicarboxylic acid IUPAC Name: 5-[2-(4-methylphenyl)sulfonyloxypropyl]-1,3-benzodioxole-2,2-dicarboxylic acid Traditional Name: 5-(2-tosyloxypropyl)-1,3-benzodioxole-2,2-dicarboxylic acid Formula: C19H18O9S MolecularWeight: 422.40582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC2=CC3=C(C=C2)OC(O3)(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC2=CC3=C(C=C2)OC(O3)(C(=O)O)C(=O)O

InChI

InChI=1S/C19H18O9S/c1-11-3-6-14(7-4-11)29(24,25)28-12(2)9-13-5-8-15-16(10-13)27-19(26-15,17(20)21)18(22)23/h3-8,10,12H,9H2,1-2H3,(H,20,21)(H,22,23)