3-bicyclo[2.1.1]hexanyl 4-methylbenzenesulfonate

Systemtic Name: 3-bicyclo[2.1.1]hexanyl 4-methylbenzenesulfonate Openeye Name: 3-bicyclo[2.1.1]hexanyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-bicyclo[2.1.1]hexanyl ester IUPAC Name: 3-bicyclo[2.1.1]hexanyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-bicyclo[2.1.1]hexanyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3CC2C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3CC2C3

InChI

InChI=1S/C13H16O3S/c1-9-2-4-12(5-3-9)17(14,15)16-13-8-10-6-11(13)7-10/h2-5,10-11,13H,6-8H2,1H3