5,5-dimethylhept-6-en-1-yn-3-yl thiocyanate

Systemtic Name: 5,5-dimethylhept-6-en-1-yn-3-yl thiocyanate Openeye Name: (1-ethynyl-3,3-dimethyl-pent-4-enyl) thiocyanate CAS Name: thiocyanic acid 5,5-dimethylhept-6-en-1-yn-3-yl ester IUPAC Name: 5,5-dimethylhept-6-en-1-yn-3-yl thiocyanate Traditional Name: thiocyanic acid (1-ethynyl-3,3-dimethyl-pent-4-enyl) ester Formula: C10H13NS MolecularWeight: 179.28192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NS/c1-5-9(12-8-11)7-10(3,4)6-2/h1,6,9H,2,7H2,3-4H3