ethyl 2-isothiocyanatohexanoate

Systemtic Name: ethyl 2-isothiocyanatohexanoate Openeye Name: ethyl 2-isothiocyanatohexanoate CAS Name: 2-isothiocyanatohexanoic acid ethyl ester IUPAC Name: ethyl 2-isothiocyanatohexanoate Traditional Name: 2-isothiocyanatohexanoic acid ethyl ester Formula: C9H15NO2S MolecularWeight: 201.2859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO2S/c1-3-5-6-8(10-7-13)9(11)12-4-2/h8H,3-6H2,1-2H3