[1-[di(propan-2-yloxy)phosphorylmethyl]-2-oxidanylidene-pyridin-4-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [1-[di(propan-2-yloxy)phosphorylmethyl]-2-oxidanylidene-pyridin-4-yl] tris(fluoranyl)methanesulfonate Openeye Name: [1-(diisopropoxyphosphorylmethyl)-2-oxo-4-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [1-[di(propan-2-yloxy)phosphorylmethyl]-2-oxo-4-pyridinyl] ester IUPAC Name: [1-[di(propan-2-yloxy)phosphorylmethyl]-2-oxopyridin-4-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [1-(diisopropoxyphosphorylmethyl)-2-keto-4-pyridyl] ester Formula: C13H19F3NO7PS MolecularWeight: 421.326431

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(CN1C=CC(=CC1=O)OS(=O)(=O)C(F)(F)F)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(CN1C=CC(=CC1=O)OS(=O)(=O)C(F)(F)F)OC(C)C

InChI

InChI=1S/C13H19F3NO7PS/c1-9(2)22-25(19,23-10(3)4)8-17-6-5-11(7-12(17)18)24-26(20,21)13(14,15)16/h5-7,9-10H,8H2,1-4H3