[6-(2-oxidanylbut-3-enoxy)-2-(phenylmethyl)pyridin-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-(2-oxidanylbut-3-enoxy)-2-(phenylmethyl)pyridin-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-benzyl-6-(2-hydroxybut-3-enoxy)-3-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-(2-hydroxybut-3-enoxy)-2-(phenylmethyl)-3-pyridinyl] ester IUPAC Name: [2-benzyl-6-(2-hydroxybut-3-enoxy)pyridin-3-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-benzyl-6-(2-hydroxybut-3-enoxy)-3-pyridyl] ester Formula: C17H16F3NO5S MolecularWeight: 403.37285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(COC1=NC(=C(C=C1)OS(=O)(=O)C(F)(F)F)CC2=CC=CC=C2)O

Isomeric SMILES

C=CC(COC1=NC(=C(C=C1)OS(=O)(=O)C(F)(F)F)CC2=CC=CC=C2)O

InChI

InChI=1S/C17H16F3NO5S/c1-2-13(22)11-25-16-9-8-15(26-27(23,24)17(18,19)20)14(21-16)10-12-6-4-3-5-7-12/h2-9,13,22H,1,10-11H2