(5-chloranyl-2-oxidanylidene-heptan-3-yl) thiocyanate

Systemtic Name: (5-chloranyl-2-oxidanylidene-heptan-3-yl) thiocyanate Openeye Name: (1-acetyl-3-chloro-pentyl) thiocyanate CAS Name: thiocyanic acid (5-chloro-2-oxoheptan-3-yl) ester IUPAC Name: (5-chloro-2-oxoheptan-3-yl) thiocyanate Traditional Name: thiocyanic acid (1-acetyl-3-chloro-pentyl) ester Formula: C8H12ClNOS MolecularWeight: 205.70498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12ClNOS/c1-3-7(9)4-8(6(2)11)12-5-10/h7-8H,3-4H2,1-2H3