(4-methyl-5-oxidanyl-3-oxidanylidene-5-phenyl-pentan-2-yl) thiocyanate

Systemtic Name: (4-methyl-5-oxidanyl-3-oxidanylidene-5-phenyl-pentan-2-yl) thiocyanate Openeye Name: (4-hydroxy-1,3-dimethyl-2-oxo-4-phenyl-butyl) thiocyanate CAS Name: thiocyanic acid (5-hydroxy-4-methyl-3-oxo-5-phenylpentan-2-yl) ester IUPAC Name: (5-hydroxy-4-methyl-3-oxo-5-phenylpentan-2-yl) thiocyanate Traditional Name: thiocyanic acid (4-hydroxy-2-keto-1,3-dimethyl-4-phenyl-butyl) ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)C(=O)C(C)SC#N

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)C(=O)C(C)SC#N

InChI

InChI=1S/C13H15NO2S/c1-9(12(15)10(2)17-8-14)13(16)11-6-4-3-5-7-11/h3-7,9-10,13,16H,1-2H3