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

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

Systemtic Name:1-(4-hexoxy-2-oxidanyl-3-propyl-phenyl)ethanone thiocyanate
Openeye Name:1-(4-hexoxy-2-hydroxy-3-propyl-phenyl)ethanone thiocyanate
CAS Name:1-(4-hexoxy-2-hydroxy-3-propylphenyl)ethanone thiocyanate
IUPAC Name:1-(4-hexoxy-2-hydroxy-3-propylphenyl)ethanone thiocyanate
Traditional Name:1-(4-hexoxy-2-hydroxy-3-propyl-phenyl)ethanone thiocyanate
Formula: C18H26NO3S-
MolecularWeight: 336.46894
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C(C=C1)C(=O)C)O)CCC.C(#N)[S-]


Isomeric SMILES

CCCCCCOC1=C(C(=C(C=C1)C(=O)C)O)CCC.C(#N)[S-]


InChI

InChI=1S/C17H26O3.CHNS/c1-4-6-7-8-12-20-16-11-10-14(13(3)18)17(19)15(16)9-5-2;2-1-3/h10-11,19H,4-9,12H2,1-3H3;3H/p-1


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