3-(hexadecylsulfanylmethyl)-4-oxidanyl-butanenitrile; phosphoric acid

Systemtic Name: 3-(hexadecylsulfanylmethyl)-4-oxidanyl-butanenitrile; phosphoric acid Openeye Name: 3-(hexadecylsulfanylmethyl)-4-hydroxy-butanenitrile; phosphoric acid CAS Name: 3-[(hexadecylthio)methyl]-4-hydroxybutanenitrile; phosphoric acid IUPAC Name: 3-(hexadecylsulfanylmethyl)-4-hydroxybutanenitrile; phosphoric acid Traditional Name: 3-[(cetylthio)methyl]-4-hydroxy-butyronitrile; phosphoric acid Formula: C21H44NO5PS MolecularWeight: 453.616521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CC#N)CO.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CC#N)CO.OP(=O)(O)O

InChI

InChI=1S/C21H41NOS.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20-21(19-23)16-17-22;1-5(2,3)4/h21,23H,2-16,18-20H2,1H3;(H3,1,2,3,4)