(3-cyclohexyl-3-oxidanyl-3-phenyl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (3-cyclohexyl-3-oxidanyl-3-phenyl-propyl) 4-methylbenzenesulfonate Openeye Name: (3-cyclohexyl-3-hydroxy-3-phenyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-cyclohexyl-3-hydroxy-3-phenylpropyl) ester IUPAC Name: (3-cyclohexyl-3-hydroxy-3-phenylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-cyclohexyl-3-hydroxy-3-phenyl-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)OCCC(C2CCCCC2)(C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2CCCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C22H28O4S/c1-18-12-14-21(15-13-18)27(24,25)26-17-16-22(23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-5,8-9,12-15,20,23H,3,6-7,10-11,16-17H2,1H3