methyl 12-isothiocyanatododecanoate

Systemtic Name: methyl 12-isothiocyanatododecanoate Openeye Name: methyl 12-isothiocyanatododecanoate CAS Name: 12-isothiocyanatododecanoic acid methyl ester IUPAC Name: methyl 12-isothiocyanatododecanoate Traditional Name: 12-isothiocyanatolauric acid methyl ester Formula: C14H25NO2S MolecularWeight: 271.4188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCCN=C=S

Isomeric SMILES

COC(=O)CCCCCCCCCCCN=C=S

InChI

InChI=1S/C14H25NO2S/c1-17-14(16)11-9-7-5-3-2-4-6-8-10-12-15-13-18/h2-12H2,1H3