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

Systemtic Name: [3-[3-(trifluoromethyl)phenyl]phenyl] pentane-1-sulfonate Openeye Name: [3-[3-(trifluoromethyl)phenyl]phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [3-[3-(trifluoromethyl)phenyl]phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [3-[3-(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=C2)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3O3S/c1-2-3-4-11-25(22,23)24-17-10-6-8-15(13-17)14-7-5-9-16(12-14)18(19,20)21/h5-10,12-13H,2-4,11H2,1H3