ethyl (E)-7-(4-fluoranylphenoxy)-6-(phenylsulfonyloxy)hept-2-enoate

Systemtic Name: ethyl (E)-7-(4-fluoranylphenoxy)-6-(phenylsulfonyloxy)hept-2-enoate Openeye Name: ethyl (E)-6-(benzenesulfonyloxy)-7-(4-fluorophenoxy)hept-2-enoate CAS Name: (E)-6-(benzenesulfonyloxy)-7-(4-fluorophenoxy)-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-6-(benzenesulfonyloxy)-7-(4-fluorophenoxy)hept-2-enoate Traditional Name: (E)-6-besyloxy-7-(4-fluorophenoxy)hept-2-enoic acid ethyl ester Formula: C21H23FO6S MolecularWeight: 422.467123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FO6S/c1-2-26-21(23)11-7-6-8-19(16-27-18-14-12-17(22)13-15-18)28-29(24,25)20-9-4-3-5-10-20/h3-5,7,9-15,19H,2,6,8,16H2,1H3/b11-7+