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

Systemtic Name: N-(1-hexadecylsulfanyl-3-oxidanyl-propan-2-yl)ethanamide; phosphoric acid Openeye Name: N-[1-(hexadecylsulfanylmethyl)-2-hydroxy-ethyl]acetamide; phosphoric acid CAS Name: N-[1-(hexadecylthio)-3-hydroxypropan-2-yl]acetamide; phosphoric acid IUPAC Name: N-(1-hexadecylsulfanyl-3-hydroxypropan-2-yl)acetamide; phosphoric acid Traditional Name: N-[1-[(cetylthio)methyl]-2-hydroxy-ethyl]acetamide; phosphoric acid Formula: C21H46NO6PS MolecularWeight: 471.631801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CO)NC(=O)C.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CO)NC(=O)C.OP(=O)(O)O

InChI

InChI=1S/C21H43NO2S.H3O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-19-21(18-23)22-20(2)24;1-5(2,3)4/h21,23H,3-19H2,1-2H3,(H,22,24);(H3,1,2,3,4)