(3-methoxy-2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-methoxy-2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl) 4-methylbenzenesulfonate Openeye Name: [1-(methoxymethyl)-1-methyl-2-oxo-2-phenyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-methoxy-2-methyl-1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (3-methoxy-2-methyl-1-oxo-1-phenylpropan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-1-(methoxymethyl)-1-methyl-2-phenyl-ethyl] ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)(COC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)(COC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20O5S/c1-14-9-11-16(12-10-14)24(20,21)23-18(2,13-22-3)17(19)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3