methyl 2-(2-methylpropoxy)-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-(2-methylpropoxy)-5-methylsulfonyl-benzoate Openeye Name: methyl 2-isobutoxy-5-methylsulfonyl-benzoate CAS Name: 2-(2-methylpropoxy)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-(2-methylpropoxy)-5-methylsulfonylbenzoate Traditional Name: 2-isobutoxy-5-mesyl-benzoic acid methyl ester Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C13H18O5S/c1-9(2)8-18-12-6-5-10(19(4,15)16)7-11(12)13(14)17-3/h5-7,9H,8H2,1-4H3