3-methanoylheptan-3-yl thiocyanate

Systemtic Name: 3-methanoylheptan-3-yl thiocyanate Openeye Name: (1-ethyl-1-formyl-pentyl) thiocyanate CAS Name: thiocyanic acid 3-formylheptan-3-yl ester IUPAC Name: 3-formylheptan-3-yl thiocyanate Traditional Name: thiocyanic acid (1-ethyl-1-formyl-pentyl) ester Formula: C9H15NOS MolecularWeight: 185.2865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NOS/c1-3-5-6-9(4-2,7-11)12-8-10/h7H,3-6H2,1-2H3