(3-hexadecylsulfanyl-2-methoxy-propyl) hydrogen phosphate; 2-hydroxyethyl(trimethyl)azanium

Systemtic Name: (3-hexadecylsulfanyl-2-methoxy-propyl) hydrogen phosphate; 2-hydroxyethyl(trimethyl)azanium Openeye Name: (3-hexadecylsulfanyl-2-methoxy-propyl) hydrogen phosphate; 2-hydroxyethyl(trimethyl)ammonium CAS Name: [3-(hexadecylthio)-2-methoxypropyl] hydrogen phosphate; 2-hydroxyethyl(trimethyl)ammonium IUPAC Name: (3-hexadecylsulfanyl-2-methoxypropyl) hydrogen phosphate; 2-hydroxyethyl(trimethyl)azanium Traditional Name: [3-(cetylthio)-2-methoxy-propyl] hydrogen phosphate; 2-hydroxyethyl(trimethyl)ammonium Formula: C25H56NO6PS MolecularWeight: 529.754001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(COP(=O)(O)[O-])OC.C[N+](C)(C)CCO

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(COP(=O)(O)[O-])OC.C[N+](C)(C)CCO

InChI

InChI=1S/C20H43O5PS.C5H14NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-19-20(24-2)18-25-26(21,22)23;1-6(2,3)4-5-7/h20H,3-19H2,1-2H3,(H2,21,22,23);7H,4-5H2,1-3H3/q;+1/p-1