[[3-(4-fluoranyl-4-oxidanyl-butyl)oxiran-2-yl]-phenoxy-methyl] benzenesulfonate

Systemtic Name: [[3-(4-fluoranyl-4-oxidanyl-butyl)oxiran-2-yl]-phenoxy-methyl] benzenesulfonate Openeye Name: [[3-(4-fluoro-4-hydroxy-butyl)oxiran-2-yl]-phenoxy-methyl] benzenesulfonate CAS Name: benzenesulfonic acid [[3-(4-fluoro-4-hydroxybutyl)-2-oxiranyl]-phenoxymethyl] ester IUPAC Name: [[3-(4-fluoro-4-hydroxybutyl)oxiran-2-yl]-phenoxymethyl] benzenesulfonate Traditional Name: benzenesulfonic acid [[3-(4-fluoro-4-hydroxy-butyl)oxiran-2-yl]-phenoxy-methyl] ester Formula: C19H21FO6S MolecularWeight: 396.429843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(C2C(O2)CCCC(O)F)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OC(C2C(O2)CCCC(O)F)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21FO6S/c20-17(21)13-7-12-16-18(25-16)19(24-14-8-3-1-4-9-14)26-27(22,23)15-10-5-2-6-11-15/h1-6,8-11,16-19,21H,7,12-13H2