3-(hexadecylsulfanylmethyl)-4-oxidanyl-butanenitrile

Systemtic Name: 3-(hexadecylsulfanylmethyl)-4-oxidanyl-butanenitrile Openeye Name: 3-(hexadecylsulfanylmethyl)-4-hydroxy-butanenitrile CAS Name: 3-[(hexadecylthio)methyl]-4-hydroxybutanenitrile IUPAC Name: 3-(hexadecylsulfanylmethyl)-4-hydroxybutanenitrile Traditional Name: 3-[(cetylthio)methyl]-4-hydroxy-butyronitrile Formula: C21H41NOS MolecularWeight: 355.62134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CC#N)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CC#N)CO

InChI

InChI=1S/C21H41NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20-21(19-23)16-17-22/h21,23H,2-16,18-20H2,1H3