2-(heptadecylsulfanylmethyl)-3-oxidanyl-propanenitrile; phosphoric acid

Systemtic Name: 2-(heptadecylsulfanylmethyl)-3-oxidanyl-propanenitrile; phosphoric acid Openeye Name: 2-(heptadecylsulfanylmethyl)-3-hydroxy-propanenitrile; phosphoric acid CAS Name: 2-[(heptadecylthio)methyl]-3-hydroxypropanenitrile; phosphoric acid IUPAC Name: 2-(heptadecylsulfanylmethyl)-3-hydroxypropanenitrile; phosphoric acid Traditional Name: 2-[(heptadecylthio)methyl]-3-hydroxy-propionitrile; phosphoric acid Formula: C21H44NO5PS MolecularWeight: 453.616521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCSCC(CO)C#N.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCSCC(CO)C#N.OP(=O)(O)O

InChI

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