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

Systemtic Name: [3-methyl-1-(2-methylphenyl)-1-oxidanylidene-butan-2-yl] methanesulfonate Openeye Name: [2-methyl-1-(2-methylbenzoyl)propyl] methanesulfonate CAS Name: methanesulfonic acid [3-methyl-1-(2-methylphenyl)-1-oxobutan-2-yl] ester IUPAC Name: [3-methyl-1-(2-methylphenyl)-1-oxobutan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid (2-methyl-1-o-toluoyl-propyl) ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(C(C)C)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)C(C(C)C)OS(=O)(=O)C

InChI

InChI=1S/C13H18O4S/c1-9(2)13(17-18(4,15)16)12(14)11-8-6-5-7-10(11)3/h5-9,13H,1-4H3