6-thiocyanatoheptan-2-yl thiocyanate

Systemtic Name: 6-thiocyanatoheptan-2-yl thiocyanate Openeye Name: (1-methyl-5-thiocyanato-hexyl) thiocyanate CAS Name: thiocyanic acid 6-thiocyanatoheptan-2-yl ester IUPAC Name: 6-thiocyanatoheptan-2-yl thiocyanate Traditional Name: thiocyanic acid (1-methyl-5-thiocyanato-hexyl) ester Formula: C9H14N2S2 MolecularWeight: 214.35086

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)SC#N)SC#N

Isomeric SMILES

CC(CCCC(C)SC#N)SC#N

InChI

InChI=1S/C9H14N2S2/c1-8(12-6-10)4-3-5-9(2)13-7-11/h8-9H,3-5H2,1-2H3