methyl 3-methylsulfonyl-4-propan-2-yl-benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-propan-2-yl-benzoate Openeye Name: methyl 4-isopropyl-3-methylsulfonyl-benzoate CAS Name: 3-methylsulfonyl-4-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-propan-2-ylbenzoate Traditional Name: 4-isopropyl-3-mesyl-benzoic acid methyl ester Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-8(2)10-6-5-9(12(13)16-3)7-11(10)17(4,14)15/h5-8H,1-4H3