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

Systemtic Name: 1-(4-octoxy-2-oxidanyl-3-propyl-phenyl)ethanone thiocyanate Openeye Name: 1-(2-hydroxy-4-octoxy-3-propyl-phenyl)ethanone thiocyanate CAS Name: 1-(2-hydroxy-4-octoxy-3-propylphenyl)ethanone thiocyanate IUPAC Name: 1-(2-hydroxy-4-octoxy-3-propylphenyl)ethanone thiocyanate Traditional Name: 1-(2-hydroxy-4-octoxy-3-propyl-phenyl)ethanone thiocyanate Formula: C20H30NO3S- MolecularWeight: 364.5221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C(=O)C)O)CCC.C(#N)[S-]

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C(=O)C)O)CCC.C(#N)[S-]

InChI

InChI=1S/C19H30O3.CHNS/c1-4-6-7-8-9-10-14-22-18-13-12-16(15(3)20)19(21)17(18)11-5-2;2-1-3/h12-13,21H,4-11,14H2,1-3H3;3H/p-1