(2-methyl-4-oxidanylidene-pentan-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-4-oxidanylidene-pentan-3-yl) 4-methylbenzenesulfonate Openeye Name: (1-acetyl-2-methyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-4-oxopentan-3-yl) ester IUPAC Name: (2-methyl-4-oxopentan-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-acetyl-2-methyl-propyl) ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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