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

Systemtic Name: methyl 3-methylsulfonyl-4-(1-oxidanylpropan-2-yl)benzoate Openeye Name: methyl 4-(2-hydroxy-1-methyl-ethyl)-3-methylsulfonyl-benzoate CAS Name: 4-(1-hydroxypropan-2-yl)-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(1-hydroxypropan-2-yl)-3-methylsulfonylbenzoate Traditional Name: 4-(2-hydroxy-1-methyl-ethyl)-3-mesyl-benzoic acid methyl ester Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O5S/c1-8(7-13)10-5-4-9(12(14)17-2)6-11(10)18(3,15)16/h4-6,8,13H,7H2,1-3H3