4-bicyclo[2.2.2]octanylmethyl 4-methylbenzenesulfonate

Systemtic Name: 4-bicyclo[2.2.2]octanylmethyl 4-methylbenzenesulfonate Openeye Name: 4-bicyclo[2.2.2]octanylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-bicyclo[2.2.2]octanylmethyl ester IUPAC Name: 4-bicyclo[2.2.2]octanylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-bicyclo[2.2.2]octanylmethyl ester Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(CC2)CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(CC2)CC3

InChI

InChI=1S/C16H22O3S/c1-13-2-4-15(5-3-13)20(17,18)19-12-16-9-6-14(7-10-16)8-11-16/h2-5,14H,6-12H2,1H3