[6-(4-methoxy-3-oxidanylidene-butyl)-2-(phenylmethyl)pyridin-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-(4-methoxy-3-oxidanylidene-butyl)-2-(phenylmethyl)pyridin-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-benzyl-6-(4-methoxy-3-oxo-butyl)-3-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-(4-methoxy-3-oxobutyl)-2-(phenylmethyl)-3-pyridinyl] ester IUPAC Name: [2-benzyl-6-(4-methoxy-3-oxobutyl)pyridin-3-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-benzyl-6-(3-keto-4-methoxy-butyl)-3-pyridyl] ester Formula: C18H18F3NO5S MolecularWeight: 417.39943

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)CCC1=NC(=C(C=C1)OS(=O)(=O)C(F)(F)F)CC2=CC=CC=C2

Isomeric SMILES

COCC(=O)CCC1=NC(=C(C=C1)OS(=O)(=O)C(F)(F)F)CC2=CC=CC=C2

InChI

InChI=1S/C18H18F3NO5S/c1-26-12-15(23)9-7-14-8-10-17(27-28(24,25)18(19,20)21)16(22-14)11-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11-12H2,1H3