[3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl] pentane-1-sulfonate

Systemtic Name: [3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl] pentane-1-sulfonate Openeye Name: [3-[4-(trifluoromethyl)oxazol-2-yl]phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [3-[4-(trifluoromethyl)oxazol-2-yl]phenyl] ester Formula: C15H16F3NO4S MolecularWeight: 363.35205

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=NC(=CO2)C(F)(F)F

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=NC(=CO2)C(F)(F)F

InChI

InChI=1S/C15H16F3NO4S/c1-2-3-4-8-24(20,21)23-12-7-5-6-11(9-12)14-19-13(10-22-14)15(16,17)18/h5-7,9-10H,2-4,8H2,1H3