(4-methyl-2-oxidanylidene-pentyl) 3-methylbenzenesulfonate

Systemtic Name: (4-methyl-2-oxidanylidene-pentyl) 3-methylbenzenesulfonate Openeye Name: (4-methyl-2-oxo-pentyl) 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid (4-methyl-2-oxopentyl) ester IUPAC Name: (4-methyl-2-oxopentyl) 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid (2-keto-4-methyl-pentyl) ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-10(2)7-12(14)9-17-18(15,16)13-6-4-5-11(3)8-13/h4-6,8,10H,7,9H2,1-3H3