(4-bromanyl-2-methyl-3-nitrooxy-butyl) thiocyanate

Systemtic Name: (4-bromanyl-2-methyl-3-nitrooxy-butyl) thiocyanate Openeye Name: (4-bromo-2-methyl-3-nitrooxy-butyl) thiocyanate CAS Name: thiocyanic acid (4-bromo-2-methyl-3-nitrooxybutyl) ester IUPAC Name: (4-bromo-2-methyl-3-nitrooxybutyl) thiocyanate Traditional Name: thiocyanic acid (4-bromo-2-methyl-3-nitrooxy-butyl) ester Formula: C6H9BrN2O3S MolecularWeight: 269.11626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC#N)C(CBr)O[N+](=O)[O-]

Isomeric SMILES

CC(CSC#N)C(CBr)O[N+](=O)[O-]

InChI

InChI=1S/C6H9BrN2O3S/c1-5(3-13-4-8)6(2-7)12-9(10)11/h5-6H,2-3H2,1H3