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3-ethyl-1-isothiocyanato-heptan-1-one

3-ethyl-1-isothiocyanato-heptan-1-one

Systemtic Name:3-ethyl-1-isothiocyanato-heptan-1-one
Openeye Name:3-ethylheptanoyl isothiocyanate
CAS Name:3-ethyl-1-isothiocyanato-1-heptanone
IUPAC Name:3-ethylheptanoyl isothiocyanate
Traditional Name:3-ethyl-1-isothiocyanato-heptan-1-one
Formula: C10H17NOS
MolecularWeight: 199.31308
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(=O)N=C=S


Isomeric SMILES

CCCCC(CC)CC(=O)N=C=S


InChI

InChI=1S/C10H17NOS/c1-3-5-6-9(4-2)7-10(12)11-8-13/h9H,3-7H2,1-2H3


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