(3-methyl-5-oxidanylidene-pentyl) 4-methylbenzenesulfonate

Systemtic Name: (3-methyl-5-oxidanylidene-pentyl) 4-methylbenzenesulfonate Openeye Name: (3-methyl-5-oxo-pentyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-methyl-5-oxopentyl) ester IUPAC Name: (3-methyl-5-oxopentyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-keto-3-methyl-pentyl) ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-11-3-5-13(6-4-11)18(15,16)17-10-8-12(2)7-9-14/h3-6,9,12H,7-8,10H2,1-2H3