1-(2-oxidanyl-4-propoxy-3-propyl-phenyl)ethanone thiocyanate

Systemtic Name: 1-(2-oxidanyl-4-propoxy-3-propyl-phenyl)ethanone thiocyanate Openeye Name: 1-(2-hydroxy-4-propoxy-3-propyl-phenyl)ethanone thiocyanate CAS Name: 1-(2-hydroxy-4-propoxy-3-propylphenyl)ethanone thiocyanate IUPAC Name: 1-(2-hydroxy-4-propoxy-3-propylphenyl)ethanone thiocyanate Traditional Name: 1-(2-hydroxy-4-propoxy-3-propyl-phenyl)ethanone thiocyanate Formula: C15H20NO3S- MolecularWeight: 294.3892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCC.C(#N)[S-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCC.C(#N)[S-]

InChI

InChI=1S/C14H20O3.CHNS/c1-4-6-12-13(17-9-5-2)8-7-11(10(3)15)14(12)16;2-1-3/h7-8,16H,4-6,9H2,1-3H3;3H/p-1