(2-methyl-3-nitrooxy-propyl) thiocyanate

Systemtic Name: (2-methyl-3-nitrooxy-propyl) thiocyanate Openeye Name: (2-methyl-3-nitrooxy-propyl) thiocyanate CAS Name: thiocyanic acid (2-methyl-3-nitrooxypropyl) ester IUPAC Name: (2-methyl-3-nitrooxypropyl) thiocyanate Traditional Name: thiocyanic acid (2-methyl-3-nitrooxy-propyl) ester Formula: C5H8N2O3S MolecularWeight: 176.19362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H8N2O3S/c1-5(3-11-4-6)2-10-7(8)9/h5H,2-3H2,1H3