[(2S)-2-hexadecanoyloxy-3-oxidanyl-propyl] hexadecanoate; trimethyl(2-phosphonooxyethyl)azanium

Systemtic Name: [(2S)-2-hexadecanoyloxy-3-oxidanyl-propyl] hexadecanoate; trimethyl(2-phosphonooxyethyl)azanium Openeye Name: [(2S)-2-hexadecanoyloxy-3-hydroxy-propyl] hexadecanoate; trimethyl(2-phosphonooxyethyl)ammonium CAS Name: hexadecanoic acid [(2S)-3-hydroxy-2-(1-oxohexadecoxy)propyl] ester; trimethyl(2-phosphonooxyethyl)ammonium IUPAC Name: [(2S)-2-hexadecanoyloxy-3-hydroxypropyl] hexadecanoate; trimethyl(2-phosphonooxyethyl)azanium Traditional Name: palmitic acid [(2S)-2-hexadecanoyloxy-3-hydroxy-propyl] ester; trimethyl(2-phosphonooxyethyl)ammonium Formula: C40H83NO9P+ MolecularWeight: 753.062081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)(O)O

InChI

InChI=1S/C35H68O5.C5H14NO4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-6(2,3)4-5-10-11(7,8)9/h33,36H,3-32H2,1-2H3;4-5H2,1-3H3,(H-,7,8,9)/p+1/t33-;/m0./s1