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

Systemtic Name: carboxy (2R)-4,6-dimethyl-5-[2-(4-methylphenyl)sulfonyloxypropyl]-1,3-benzodioxole-2-carboxylate Openeye Name: carboxy (2R)-4,6-dimethyl-5-[2-(p-tolylsulfonyloxy)propyl]-1,3-benzodioxole-2-carboxylate CAS Name: (2R)-4,6-dimethyl-5-[2-(4-methylphenyl)sulfonyloxypropyl]-1,3-benzodioxole-2-carboxylic acid carboxy ester IUPAC Name: carboxy (2R)-4,6-dimethyl-5-[2-(4-methylphenyl)sulfonyloxypropyl]-1,3-benzodioxole-2-carboxylate Traditional Name: (2R)-4,6-dimethyl-5-(2-tosyloxypropyl)-1,3-benzodioxole-2-carboxylic acid carboxy ester Formula: C21H22O9S MolecularWeight: 450.45898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC2=C(C3=C(C=C2C)OC(O3)C(=O)OC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC2=C(C3=C(C=C2C)O[C@H](O3)C(=O)OC(=O)O)C

InChI

InChI=1S/C21H22O9S/c1-11-5-7-15(8-6-11)31(25,26)30-13(3)10-16-12(2)9-17-18(14(16)4)28-20(27-17)19(22)29-21(23)24/h5-9,13,20H,10H2,1-4H3,(H,23,24)/t13?,20-/m1/s1