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

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

Systemtic Name:1-(4-heptoxy-2-oxidanyl-3-propyl-phenyl)ethanone thiocyanate
Openeye Name:1-(4-heptoxy-2-hydroxy-3-propyl-phenyl)ethanone thiocyanate
CAS Name:1-(4-heptoxy-2-hydroxy-3-propylphenyl)ethanone thiocyanate
IUPAC Name:1-(4-heptoxy-2-hydroxy-3-propylphenyl)ethanone thiocyanate
Traditional Name:1-(4-heptoxy-2-hydroxy-3-propyl-phenyl)ethanone thiocyanate
Formula: C19H28NO3S-
MolecularWeight: 350.49552
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=C(C=C1)C(=O)C)O)CCC.C(#N)[S-]


Isomeric SMILES

CCCCCCCOC1=C(C(=C(C=C1)C(=O)C)O)CCC.C(#N)[S-]


InChI

InChI=1S/C18H28O3.CHNS/c1-4-6-7-8-9-13-21-17-12-11-15(14(3)19)18(20)16(17)10-5-2;2-1-3/h11-12,20H,4-10,13H2,1-3H3;3H/p-1


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