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

Systemtic Name: 1-(4-butoxy-2-oxidanyl-3-propyl-phenyl)ethanone thiocyanate Openeye Name: 1-(4-butoxy-2-hydroxy-3-propyl-phenyl)ethanone thiocyanate CAS Name: 1-(4-butoxy-2-hydroxy-3-propylphenyl)ethanone thiocyanate IUPAC Name: 1-(4-butoxy-2-hydroxy-3-propylphenyl)ethanone thiocyanate Traditional Name: 1-(4-butoxy-2-hydroxy-3-propyl-phenyl)ethanone thiocyanate Formula: C16H22NO3S- MolecularWeight: 308.41578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C=C1)C(=O)C)O)CCC.C(#N)[S-]

Isomeric SMILES

CCCCOC1=C(C(=C(C=C1)C(=O)C)O)CCC.C(#N)[S-]

InChI

InChI=1S/C15H22O3.CHNS/c1-4-6-10-18-14-9-8-12(11(3)16)15(17)13(14)7-5-2;2-1-3/h8-9,17H,4-7,10H2,1-3H3;3H/p-1