methyl 4-(1-methoxypropan-2-yl)-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-(1-methoxypropan-2-yl)-3-methylsulfonyl-benzoate Openeye Name: methyl 4-(2-methoxy-1-methyl-ethyl)-3-methylsulfonyl-benzoate CAS Name: 4-(1-methoxypropan-2-yl)-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(1-methoxypropan-2-yl)-3-methylsulfonylbenzoate Traditional Name: 3-mesyl-4-(2-methoxy-1-methyl-ethyl)benzoic acid methyl ester Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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