[(E)-2-fluoranyl-4-phenyl-but-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-2-fluoranyl-4-phenyl-but-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-2-fluoro-4-phenyl-but-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-2-fluoro-4-phenylbut-3-enyl] ester IUPAC Name: [(E)-2-fluoro-4-phenylbut-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-2-fluoro-4-phenyl-but-3-enyl] ester Formula: C17H17FO3S MolecularWeight: 320.378483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C=CC2=CC=CC=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C17H17FO3S/c1-14-7-11-17(12-8-14)22(19,20)21-13-16(18)10-9-15-5-3-2-4-6-15/h2-12,16H,13H2,1H3/b10-9+