[(1R)-1-(4-tert-butylcyclohexyl)-2-oxidanylidene-2-phenyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R)-1-(4-tert-butylcyclohexyl)-2-oxidanylidene-2-phenyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-(4-tert-butylcyclohexyl)-2-oxo-2-phenyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R)-1-(4-tert-butylcyclohexyl)-2-oxo-2-phenylethyl] ester IUPAC Name: [(1R)-1-(4-tert-butylcyclohexyl)-2-oxo-2-phenylethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-(4-tert-butylcyclohexyl)-2-keto-2-phenyl-ethyl] ester Formula: C25H32O4S MolecularWeight: 428.58418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CCC(CC2)C(C)(C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](C2CCC(CC2)C(C)(C)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H32O4S/c1-18-10-16-22(17-11-18)30(27,28)29-24(23(26)19-8-6-5-7-9-19)20-12-14-21(15-13-20)25(2,3)4/h5-11,16-17,20-21,24H,12-15H2,1-4H3/t20?,21?,24-/m1/s1