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

Systemtic Name: [(2R)-1,1-bis(fluoranyl)-1-nitro-propan-2-yl] 4-acetamidobenzenesulfonate Openeye Name: [(1R)-2,2-difluoro-1-methyl-2-nitro-ethyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [(2R)-1,1-difluoro-1-nitropropan-2-yl] ester IUPAC Name: [(2R)-1,1-difluoro-1-nitropropan-2-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [(1R)-2,2-difluoro-1-methyl-2-nitro-ethyl] ester Formula: C11H12F2N2O6S MolecularWeight: 338.284586

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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C11H12F2N2O6S/c1-7(11(12,13)15(17)18)21-22(19,20)10-5-3-9(4-6-10)14-8(2)16/h3-7H,1-2H3,(H,14,16)/t7-/m1/s1