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

Systemtic Name: [3-[2-chloranyl-3-(trifluoromethyl)phenoxy]phenyl] pentane-1-sulfonate Openeye Name: [3-[2-chloro-3-(trifluoromethyl)phenoxy]phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [3-[2-chloro-3-(trifluoromethyl)phenoxy]phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [3-[2-chloro-3-(trifluoromethyl)phenoxy]phenyl] ester Formula: C18H18ClF3O4S MolecularWeight: 422.84633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC=CC(=C1)OC2=CC=CC(=C2Cl)C(F)(F)F

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=CC(=C1)OC2=CC=CC(=C2Cl)C(F)(F)F

InChI

InChI=1S/C18H18ClF3O4S/c1-2-3-4-11-27(23,24)26-14-8-5-7-13(12-14)25-16-10-6-9-15(17(16)19)18(20,21)22/h5-10,12H,2-4,11H2,1H3