propyl 4-methyl-3-(1-oxidanyl-2-phenyl-cyclohexyl)benzenesulfonate

Systemtic Name: propyl 4-methyl-3-(1-oxidanyl-2-phenyl-cyclohexyl)benzenesulfonate Openeye Name: propyl 3-(1-hydroxy-2-phenyl-cyclohexyl)-4-methyl-benzenesulfonate CAS Name: 3-(1-hydroxy-2-phenylcyclohexyl)-4-methylbenzenesulfonic acid propyl ester IUPAC Name: propyl 3-(1-hydroxy-2-phenylcyclohexyl)-4-methylbenzenesulfonate Traditional Name: 3-(1-hydroxy-2-phenyl-cyclohexyl)-4-methyl-benzenesulfonic acid propyl ester Formula: C22H28O4S MolecularWeight: 388.52032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOS(=O)(=O)C1=CC(=C(C=C1)C)C2(CCCCC2C3=CC=CC=C3)O

Isomeric SMILES

CCCOS(=O)(=O)C1=CC(=C(C=C1)C)C2(CCCCC2C3=CC=CC=C3)O

InChI

InChI=1S/C22H28O4S/c1-3-15-26-27(24,25)19-13-12-17(2)21(16-19)22(23)14-8-7-11-20(22)18-9-5-4-6-10-18/h4-6,9-10,12-13,16,20,23H,3,7-8,11,14-15H2,1-2H3