[(Z)-2-ethyl-7-fluoranyl-1-oxidanyl-1-phenoxy-hept-2-enyl] benzenesulfonate

Systemtic Name: [(Z)-2-ethyl-7-fluoranyl-1-oxidanyl-1-phenoxy-hept-2-enyl] benzenesulfonate Openeye Name: [(Z)-2-ethyl-7-fluoro-1-hydroxy-1-phenoxy-hept-2-enyl] benzenesulfonate CAS Name: benzenesulfonic acid [(Z)-2-ethyl-7-fluoro-1-hydroxy-1-phenoxyhept-2-enyl] ester IUPAC Name: [(Z)-2-ethyl-7-fluoro-1-hydroxy-1-phenoxyhept-2-enyl] benzenesulfonate Traditional Name: benzenesulfonic acid [(Z)-2-ethyl-7-fluoro-1-hydroxy-1-phenoxy-hept-2-enyl] ester Formula: C21H25FO5S MolecularWeight: 408.483603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CCCCCF)C(O)(OC1=CC=CC=C1)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC/C(=C/CCCCF)/C(O)(OC1=CC=CC=C1)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25FO5S/c1-2-18(12-6-5-11-17-22)21(23,26-19-13-7-3-8-14-19)27-28(24,25)20-15-9-4-10-16-20/h3-4,7-10,12-16,23H,2,5-6,11,17H2,1H3/b18-12-