2-(1-hexadecylsulfanyl-3-oxidanyl-propan-2-yl)oxyethanenitrile; phosphoric acid

Systemtic Name: 2-(1-hexadecylsulfanyl-3-oxidanyl-propan-2-yl)oxyethanenitrile; phosphoric acid Openeye Name: 2-[1-(hexadecylsulfanylmethyl)-2-hydroxy-ethoxy]acetonitrile; phosphoric acid CAS Name: 2-[1-(hexadecylthio)-3-hydroxypropan-2-yl]oxyacetonitrile; phosphoric acid IUPAC Name: 2-(1-hexadecylsulfanyl-3-hydroxypropan-2-yl)oxyacetonitrile; phosphoric acid Traditional Name: 2-[1-[(cetylthio)methyl]-2-hydroxy-ethoxy]acetonitrile; phosphoric acid Formula: C21H44NO6PS MolecularWeight: 469.615921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H41NO2S.H3O4P/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;1-5(2,3)4/h21,23H,2-15,17-20H2,1H3;(H3,1,2,3,4)