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

Systemtic Name: 1-(2-oxidanyl-4-pentoxy-3-propyl-phenyl)ethanone thiocyanate Openeye Name: 1-(2-hydroxy-4-pentoxy-3-propyl-phenyl)ethanone thiocyanate CAS Name: 1-(2-hydroxy-4-pentoxy-3-propylphenyl)ethanone thiocyanate IUPAC Name: 1-(2-hydroxy-4-pentoxy-3-propylphenyl)ethanone thiocyanate Traditional Name: 1-(4-amoxy-2-hydroxy-3-propyl-phenyl)ethanone thiocyanate Formula: C17H24NO3S- MolecularWeight: 322.44236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C=C1)C(=O)C)O)CCC.C(#N)[S-]

Isomeric SMILES

CCCCCOC1=C(C(=C(C=C1)C(=O)C)O)CCC.C(#N)[S-]

InChI

InChI=1S/C16H24O3.CHNS/c1-4-6-7-11-19-15-10-9-13(12(3)17)16(18)14(15)8-5-2;2-1-3/h9-10,18H,4-8,11H2,1-3H3;3H/p-1