(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl 4-methylbenzenesulfonate Openeye Name: (3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl ester IUPAC Name: (3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl ester Formula: C17H24O3S MolecularWeight: 308.43566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC23CC(C2)(C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC23CC(C2)(C3)C(C)(C)C

InChI

InChI=1S/C17H24O3S/c1-13-5-7-14(8-6-13)21(18,19)20-12-16-9-17(10-16,11-16)15(2,3)4/h5-8H,9-12H2,1-4H3