[(E)-1-(4-fluoranylphenoxy)-7-oxidanylidene-oct-5-en-2-yl] benzenesulfonate

Systemtic Name: [(E)-1-(4-fluoranylphenoxy)-7-oxidanylidene-oct-5-en-2-yl] benzenesulfonate Openeye Name: [(E)-1-[(4-fluorophenoxy)methyl]-6-oxo-hept-4-enyl] benzenesulfonate CAS Name: benzenesulfonic acid [(E)-1-(4-fluorophenoxy)-7-oxooct-5-en-2-yl] ester IUPAC Name: [(E)-1-(4-fluorophenoxy)-7-oxooct-5-en-2-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [(E)-1-[(4-fluorophenoxy)methyl]-6-keto-hept-4-enyl] ester Formula: C20H21FO5S MolecularWeight: 392.441143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CCCC(COC1=CC=C(C=C1)F)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)/C=C/CCC(COC1=CC=C(C=C1)F)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21FO5S/c1-16(22)7-5-6-8-19(15-25-18-13-11-17(21)12-14-18)26-27(23,24)20-9-3-2-4-10-20/h2-5,7,9-14,19H,6,8,15H2,1H3/b7-5+