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heptan-2-yl thiocyanate

heptan-2-yl thiocyanate

Systemtic Name:heptan-2-yl thiocyanate
Openeye Name:1-methylhexyl thiocyanate
CAS Name:thiocyanic acid heptan-2-yl ester
IUPAC Name:heptan-2-yl thiocyanate
Traditional Name:thiocyanic acid 1-methylhexyl ester
Formula: C8H15NS
MolecularWeight: 157.2764
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)SC#N


Isomeric SMILES

CCCCCC(C)SC#N


InChI

InChI=1S/C8H15NS/c1-3-4-5-6-8(2)10-7-9/h8H,3-6H2,1-2H3


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