2-(1-oxidanyl-2-phenyl-cyclohexyl)propyl 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C2(CCCCC2C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C2(CCCCC2C3=CC=CC=C3)O

InChI

InChI=1S/C22H28O4S/c1-17-11-13-20(14-12-17)27(24,25)26-16-18(2)22(23)15-7-6-10-21(22)19-8-4-3-5-9-19/h3-5,8-9,11-14,18,21,23H,6-7,10,15-16H2,1-2H3