[1,3-bis(oxidanylidene)-4-phenoxy-1-phenyl-pentan-2-yl] thiocyanate hydrochloride

Systemtic Name: [1,3-bis(oxidanylidene)-4-phenoxy-1-phenyl-pentan-2-yl] thiocyanate hydrochloride Openeye Name: (1-benzoyl-2-oxo-3-phenoxy-butyl) thiocyanate hydrochloride CAS Name: thiocyanic acid (1,3-dioxo-4-phenoxy-1-phenylpentan-2-yl) ester hydrochloride IUPAC Name: (1,3-dioxo-4-phenoxy-1-phenylpentan-2-yl) thiocyanate hydrochloride Traditional Name: thiocyanic acid (1-benzoyl-2-keto-3-phenoxy-butyl) ester hydrochloride Formula: C18H16ClNO3S MolecularWeight: 361.84254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C(=O)C1=CC=CC=C1)SC#N)OC2=CC=CC=C2.Cl

Isomeric SMILES

CC(C(=O)C(C(=O)C1=CC=CC=C1)SC#N)OC2=CC=CC=C2.Cl

InChI

InChI=1S/C18H15NO3S.ClH/c1-13(22-15-10-6-3-7-11-15)16(20)18(23-12-19)17(21)14-8-4-2-5-9-14;/h2-11,13,18H,1H3;1H