S-methyl N,N-bis(2-fluoranyl-2,2-dinitro-ethyl)carbamothioate

Systemtic Name: S-methyl N,N-bis(2-fluoranyl-2,2-dinitro-ethyl)carbamothioate Openeye Name: S-methyl N,N-bis(2-fluoro-2,2-dinitro-ethyl)carbamothioate CAS Name: N,N-bis(2-fluoro-2,2-dinitroethyl)carbamothioic acid S-methyl ester IUPAC Name: S-methyl N,N-bis(2-fluoro-2,2-dinitroethyl)carbamothioate Traditional Name: N,N-bis(2-fluoro-2,2-dinitro-ethyl)thiocarbamic acid S-methyl ester Formula: C6H7F2N5O9S MolecularWeight: 363.209686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)N(CC([N+](=O)[O-])([N+](=O)[O-])F)CC([N+](=O)[O-])([N+](=O)[O-])F

Isomeric SMILES

CSC(=O)N(CC([N+](=O)[O-])([N+](=O)[O-])F)CC([N+](=O)[O-])([N+](=O)[O-])F

InChI

InChI=1S/C6H7F2N5O9S/c1-23-4(14)9(2-5(7,10(15)16)11(17)18)3-6(8,12(19)20)13(21)22/h2-3H2,1H3