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

Systemtic Name: (2-methyl-3-nitrooxy-4-thiocyanato-butyl) thiocyanate Openeye Name: (2-methyl-3-nitrooxy-4-thiocyanato-butyl) thiocyanate CAS Name: thiocyanic acid (2-methyl-3-nitrooxy-4-thiocyanatobutyl) ester IUPAC Name: (2-methyl-3-nitrooxy-4-thiocyanatobutyl) thiocyanate Traditional Name: thiocyanic acid (2-methyl-3-nitrooxy-4-thiocyanato-butyl) ester Formula: C7H9N3O3S2 MolecularWeight: 247.29466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9N3O3S2/c1-6(2-14-4-8)7(3-15-5-9)13-10(11)12/h6-7H,2-3H2,1H3