methyl 2-(tert-butylsulfonylmethyl)-3-phenyl-propanoate

Systemtic Name: methyl 2-(tert-butylsulfonylmethyl)-3-phenyl-propanoate Openeye Name: methyl 2-benzyl-3-tert-butylsulfonyl-propanoate CAS Name: 2-(tert-butylsulfonylmethyl)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-benzyl-3-tert-butylsulfonylpropanoate Traditional Name: 2-benzyl-3-tert-butylsulfonyl-propionic acid methyl ester Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C15H22O4S/c1-15(2,3)20(17,18)11-13(14(16)19-4)10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3