2-[[2-hexadecanoyloxy-3-[(4-hexoxyphenyl)-diphenyl-methoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-hexadecanoyloxy-3-[(4-hexoxyphenyl)-diphenyl-methoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-hexadecanoyloxy-3-[(4-hexoxyphenyl)-diphenyl-methoxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[3-[(4-hexoxyphenyl)-diphenylmethoxy]-2-(1-oxohexadecoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-hexadecanoyloxy-3-[(4-hexoxyphenyl)-diphenylmethoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-hexadecanoyloxy-3-[(4-hexoxyphenyl)-diphenyl-methoxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C49H77NO8P+ MolecularWeight: 839.111341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C49H76NO8P/c1-6-8-10-12-13-14-15-16-17-18-19-20-27-33-48(51)58-47(42-57-59(52,53)56-40-38-50(3,4)5)41-55-49(43-29-23-21-24-30-43,44-31-25-22-26-32-44)45-34-36-46(37-35-45)54-39-28-11-9-7-2/h21-26,29-32,34-37,47H,6-20,27-28,33,38-42H2,1-5H3/p+1