2,4-bis(oxidanylidene)pentan-3-yl thiocyanate

Systemtic Name: 2,4-bis(oxidanylidene)pentan-3-yl thiocyanate Openeye Name: (1-acetyl-2-oxo-propyl) thiocyanate CAS Name: thiocyanic acid 2,4-dioxopentan-3-yl ester IUPAC Name: 2,4-dioxopentan-3-yl thiocyanate Traditional Name: thiocyanic acid (1-acetyl-2-keto-propyl) ester Formula: C6H7NO2S MolecularWeight: 157.19028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC#N

Isomeric SMILES

CC(=O)C(C(=O)C)SC#N

InChI

InChI=1S/C6H7NO2S/c1-4(8)6(5(2)9)10-3-7/h6H,1-2H3