[3-[2-(trifluoromethyloxy)phenoxy]phenyl] pentane-1-sulfonate

Systemtic Name: [3-[2-(trifluoromethyloxy)phenoxy]phenyl] pentane-1-sulfonate Openeye Name: [3-[2-(trifluoromethoxy)phenoxy]phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [3-[2-(trifluoromethoxy)phenoxy]phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [3-[2-(trifluoromethoxy)phenoxy]phenyl] ester Formula: C18H19F3O5S MolecularWeight: 404.40067

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC=CC(=C1)OC2=CC=CC=C2OC(F)(F)F

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=CC(=C1)OC2=CC=CC=C2OC(F)(F)F

InChI

InChI=1S/C18H19F3O5S/c1-2-3-6-12-27(22,23)26-15-9-7-8-14(13-15)24-16-10-4-5-11-17(16)25-18(19,20)21/h4-5,7-11,13H,2-3,6,12H2,1H3