(5,5-dimethyl-3-bicyclo[2.1.1]hexanyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5,5-dimethyl-3-bicyclo[2.1.1]hexanyl)methyl 4-methylbenzenesulfonate Openeye Name: (5,5-dimethyl-3-bicyclo[2.1.1]hexanyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5,5-dimethyl-3-bicyclo[2.1.1]hexanyl)methyl ester IUPAC Name: (5,5-dimethyl-3-bicyclo[2.1.1]hexanyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5,5-dimethyl-3-bicyclo[2.1.1]hexanyl)methyl ester Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3CC2C3(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3CC2C3(C)C

InChI

InChI=1S/C16H22O3S/c1-11-4-6-14(7-5-11)20(17,18)19-10-12-8-13-9-15(12)16(13,2)3/h4-7,12-13,15H,8-10H2,1-3H3