(1-methyl-2-oxidanylidene-cyclopentyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (1-methyl-2-oxidanylidene-cyclopentyl)methyl 4-methylbenzenesulfonate Openeye Name: (1-methyl-2-oxo-cyclopentyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-2-oxocyclopentyl)methyl ester IUPAC Name: (1-methyl-2-oxocyclopentyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-1-methyl-cyclopentyl)methyl ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCC2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCC2=O)C

InChI

InChI=1S/C14H18O4S/c1-11-5-7-12(8-6-11)19(16,17)18-10-14(2)9-3-4-13(14)15/h5-8H,3-4,9-10H2,1-2H3