[3-methyl-1-(4-methylphenyl)-1-oxidanylidene-butan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-methyl-1-(4-methylphenyl)-1-oxidanylidene-butan-2-yl] 4-methylbenzenesulfonate Openeye Name: [2-methyl-1-(4-methylbenzoyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl] ester IUPAC Name: [3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-methyl-1-p-toluoyl-propyl) ester Formula: C19H22O4S MolecularWeight: 346.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H22O4S/c1-13(2)19(18(20)16-9-5-14(3)6-10-16)23-24(21,22)17-11-7-15(4)8-12-17/h5-13,19H,1-4H3