2-(1-hexadecylsulfanyl-3-oxidanyl-propan-2-yl)oxyethanenitrile

Systemtic Name: 2-(1-hexadecylsulfanyl-3-oxidanyl-propan-2-yl)oxyethanenitrile Openeye Name: 2-[1-(hexadecylsulfanylmethyl)-2-hydroxy-ethoxy]acetonitrile CAS Name: 2-[1-(hexadecylthio)-3-hydroxypropan-2-yl]oxyacetonitrile IUPAC Name: 2-(1-hexadecylsulfanyl-3-hydroxypropan-2-yl)oxyacetonitrile Traditional Name: 2-[1-[(cetylthio)methyl]-2-hydroxy-ethoxy]acetonitrile Formula: C21H41NO2S MolecularWeight: 371.62074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CO)OCC#N

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CO)OCC#N

InChI

InChI=1S/C21H41NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-20-21(19-23)24-17-16-22/h21,23H,2-15,17-20H2,1H3