phenacyl 2,2-dimethyl-3-methylsulfonyl-propanoate

Systemtic Name: phenacyl 2,2-dimethyl-3-methylsulfonyl-propanoate Openeye Name: phenacyl 2,2-dimethyl-3-methylsulfonyl-propanoate CAS Name: 2,2-dimethyl-3-methylsulfonylpropanoic acid phenacyl ester IUPAC Name: phenacyl 2,2-dimethyl-3-methylsulfonylpropanoate Traditional Name: 3-mesyl-2,2-dimethyl-propionic acid phenacyl ester Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)C)C(=O)OCC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(CS(=O)(=O)C)C(=O)OCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H18O5S/c1-14(2,10-20(3,17)18)13(16)19-9-12(15)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3