2-(2-butoxyethoxy)ethyl thiocyanate; thiocyanatomethyl dodecanoate

Systemtic Name: 2-(2-butoxyethoxy)ethyl thiocyanate; thiocyanatomethyl dodecanoate Openeye Name: 2-(2-butoxyethoxy)ethyl thiocyanate; thiocyanatomethyl dodecanoate CAS Name: dodecanoic acid thiocyanatomethyl ester; thiocyanic acid 2-(2-butoxyethoxy)ethyl ester IUPAC Name: 2-(2-butoxyethoxy)ethyl thiocyanate; thiocyanatomethyl dodecanoate Traditional Name: lauric acid thiocyanatomethyl ester; thiocyanic acid 2-(2-butoxyethoxy)ethyl ester Formula: C51H92N4O8S4 MolecularWeight: 1017.55818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCSC#N.CCCCCCCCCCCC(=O)OCSC#N.CCCCCCCCCCCC(=O)OCSC#N.CCCCOCCOCCSC#N

Isomeric SMILES

CCCCCCCCCCCC(=O)OCSC#N.CCCCCCCCCCCC(=O)OCSC#N.CCCCCCCCCCCC(=O)OCSC#N.CCCCOCCOCCSC#N

InChI

InChI=1S/3C14H25NO2S.C9H17NO2S/c3*1-2-3-4-5-6-7-8-9-10-11-14(16)17-13-18-12-15;1-2-3-4-11-5-6-12-7-8-13-9-10/h3*2-11,13H2,1H3;2-8H2,1H3