2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]phenoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]phenoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]phenoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenoxy]ethyl ester IUPAC Name: 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]phenoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-(3-fluoro-4-methoxy-benzyl)phenoxy]ethyl ester Formula: C23H23FO5S MolecularWeight: 430.489123

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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(=C(C=C3)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C23H23FO5S/c1-17-3-10-21(11-4-17)30(25,26)29-14-13-28-20-8-5-18(6-9-20)15-19-7-12-23(27-2)22(24)16-19/h3-12,16H,13-15H2,1-2H3