pyridin-3-yl 3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: pyridin-3-yl 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: 3-pyridyl 3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid 3-pyridyl ester Formula: C13H7F6NO3S MolecularWeight: 371.254999

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)OS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H7F6NO3S/c14-12(15,16)8-4-9(13(17,18)19)6-11(5-8)24(21,22)23-10-2-1-3-20-7-10/h1-7H