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

Systemtic Name: [3-[2-(trifluoromethyl)phenyl]phenyl] pentane-1-sulfonate Openeye Name: [3-[2-(trifluoromethyl)phenyl]phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [3-[2-(trifluoromethyl)phenyl]phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [3-[2-(trifluoromethyl)phenyl]phenyl] ester Formula: C18H19F3O3S MolecularWeight: 372.40187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H19F3O3S/c1-2-3-6-12-25(22,23)24-15-9-7-8-14(13-15)16-10-4-5-11-17(16)18(19,20)21/h4-5,7-11,13H,2-3,6,12H2,1H3