2-[1,1-bis(fluoranyl)ethyl]-2-nitro-propane-1,3-diol

Systemtic Name: 2-[1,1-bis(fluoranyl)ethyl]-2-nitro-propane-1,3-diol Openeye Name: 2-(1,1-difluoroethyl)-2-nitro-propane-1,3-diol CAS Name: 2-(1,1-difluoroethyl)-2-nitropropane-1,3-diol IUPAC Name: 2-(1,1-difluoroethyl)-2-nitropropane-1,3-diol Traditional Name: 2-(1,1-difluoroethyl)-2-nitro-propane-1,3-diol Formula: C5H9F2NO4 MolecularWeight: 185.126066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CO)(CO)[N+](=O)[O-])(F)F

Isomeric SMILES

CC(C(CO)(CO)[N+](=O)[O-])(F)F

InChI

InChI=1S/C5H9F2NO4/c1-4(6,7)5(2-9,3-10)8(11)12/h9-10H,2-3H2,1H3