[4-(2-fluorophenyl)-2-methyl-3-oxidanyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-fluorophenyl)-2-methyl-3-oxidanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-fluorophenyl)-3-hydroxy-2-methyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-fluorophenyl)-3-hydroxy-2-methylbutyl] ester IUPAC Name: [4-(2-fluorophenyl)-3-hydroxy-2-methylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-fluorophenyl)-3-hydroxy-2-methyl-butyl] ester Formula: C18H21FO4S MolecularWeight: 352.420343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C(CC2=CC=CC=C2F)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C(CC2=CC=CC=C2F)O

InChI

InChI=1S/C18H21FO4S/c1-13-7-9-16(10-8-13)24(21,22)23-12-14(2)18(20)11-15-5-3-4-6-17(15)19/h3-10,14,18,20H,11-12H2,1-2H3