2-[4-[(3-fluorophenyl)methyl]phenoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[4-[(3-fluorophenyl)methyl]phenoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-[(3-fluorophenyl)methyl]phenoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-[(3-fluorophenyl)methyl]phenoxy]ethyl ester IUPAC Name: 2-[4-[(3-fluorophenyl)methyl]phenoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-(3-fluorobenzyl)phenoxy]ethyl ester Formula: C22H21FO4S MolecularWeight: 400.463143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H21FO4S/c1-17-5-11-22(12-6-17)28(24,25)27-14-13-26-21-9-7-18(8-10-21)15-19-3-2-4-20(23)16-19/h2-12,16H,13-15H2,1H3