[(2R)-1,1-bis(fluoranyl)-1-nitro-propan-2-yl] 4-azanylbenzenesulfonate

Systemtic Name: [(2R)-1,1-bis(fluoranyl)-1-nitro-propan-2-yl] 4-azanylbenzenesulfonate Openeye Name: [(1R)-2,2-difluoro-1-methyl-2-nitro-ethyl] 4-aminobenzenesulfonate CAS Name: 4-aminobenzenesulfonic acid [(2R)-1,1-difluoro-1-nitropropan-2-yl] ester IUPAC Name: [(2R)-1,1-difluoro-1-nitropropan-2-yl] 4-aminobenzenesulfonate Traditional Name: 4-aminobenzenesulfonic acid [(1R)-2,2-difluoro-1-methyl-2-nitro-ethyl] ester Formula: C9H10F2N2O5S MolecularWeight: 296.247906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C([N+](=O)[O-])(F)F)OS(=O)(=O)C1=CC=C(C=C1)N

Isomeric SMILES

C[C@H](C([N+](=O)[O-])(F)F)OS(=O)(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C9H10F2N2O5S/c1-6(9(10,11)13(14)15)18-19(16,17)8-4-2-7(12)3-5-8/h2-6H,12H2,1H3/t6-/m1/s1