[4-methyl-2-oxidanyl-4-phenyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate

Systemtic Name: [4-methyl-2-oxidanyl-4-phenyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)pentyl] ester IUPAC Name: [2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)pentyl] ester Formula: C20H23F3O4S MolecularWeight: 416.45443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC(C)(C)C2=CC=CC=C2)(C(F)(F)F)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC(C)(C)C2=CC=CC=C2)(C(F)(F)F)O

InChI

InChI=1S/C20H23F3O4S/c1-15-9-11-17(12-10-15)28(25,26)27-14-19(24,20(21,22)23)13-18(2,3)16-7-5-4-6-8-16/h4-12,24H,13-14H2,1-3H3