(1-methyl-2-oxidanylidene-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate

Systemtic Name: (1-methyl-2-oxidanylidene-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate Openeye Name: (1-methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-2-oxo-4-bicyclo[2.2.2]octanyl) ester IUPAC Name: (1-methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-1-methyl-4-bicyclo[2.2.2]octanyl) ester Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC23CCC(CC2)(C(=O)C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC23CCC(CC2)(C(=O)C3)C

InChI

InChI=1S/C16H20O4S/c1-12-3-5-13(6-4-12)21(18,19)20-16-9-7-15(2,8-10-16)14(17)11-16/h3-6H,7-11H2,1-2H3