[3-(phenylcarbonyl)-3-bicyclo[2.2.1]heptanyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(phenylcarbonyl)-3-bicyclo[2.2.1]heptanyl] 4-methylbenzenesulfonate Openeye Name: (2-benzoylnorbornan-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-benzoyl-3-bicyclo[2.2.1]heptanyl) ester IUPAC Name: (3-benzoyl-3-bicyclo[2.2.1]heptanyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-benzoylnorbornan-2-yl) ester Formula: C21H22O4S MolecularWeight: 370.46198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2(CC3CCC2C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2(CC3CCC2C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22O4S/c1-15-7-11-19(12-8-15)26(23,24)25-21(14-16-9-10-18(21)13-16)20(22)17-5-3-2-4-6-17/h2-8,11-12,16,18H,9-10,13-14H2,1H3