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(2S)-2-ethyl-2-thiocyanato-octanoate

(2S)-2-ethyl-2-thiocyanato-octanoate

Systemtic Name:(2S)-2-ethyl-2-thiocyanato-octanoate
Openeye Name:(2S)-2-ethyl-2-thiocyanato-octanoate
CAS Name:(2S)-2-ethyl-2-thiocyanatooctanoate
IUPAC Name:(2S)-2-ethyl-2-thiocyanatooctanoate
Traditional Name:(2S)-2-ethyl-2-thiocyanato-caprylate
Formula: C11H18NO2S-
MolecularWeight: 228.33112
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)(C(=O)[O-])SC#N


Isomeric SMILES

CCCCCC[C@@](CC)(C(=O)[O-])SC#N


InChI

InChI=1S/C11H19NO2S/c1-3-5-6-7-8-11(4-2,10(13)14)15-9-12/h3-8H2,1-2H3,(H,13,14)/p-1/t11-/m0/s1


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