3-oxidanylidenehexadecan-2-yl thiocyanate

Systemtic Name: 3-oxidanylidenehexadecan-2-yl thiocyanate Openeye Name: (1-methyl-2-oxo-pentadecyl) thiocyanate CAS Name: thiocyanic acid 3-oxohexadecan-2-yl ester IUPAC Name: 3-oxohexadecan-2-yl thiocyanate Traditional Name: thiocyanic acid (2-keto-1-methyl-pentadecyl) ester Formula: C17H31NOS MolecularWeight: 297.49914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H31NOS/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19)16(2)20-15-18/h16H,3-14H2,1-2H3