[(2S)-2-(9-anthracen-2-ylnonanoyloxy)-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2S)-2-(9-anthracen-2-ylnonanoyloxy)-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-2-[9-(2-anthryl)nonanoyloxy]-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-2-[9-(2-anthracenyl)-1-oxononoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-2-(9-anthracen-2-ylnonanoyloxy)-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-2-[9-(2-anthryl)nonanoyloxy]-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C47H74NO8P MolecularWeight: 812.066121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC1=CC2=CC3=CC=CC=C3C=C2C=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC1=CC2=CC3=CC=CC=C3C=C2C=C1

InChI

InChI=1S/C47H74NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-19-22-29-46(49)53-38-45(39-55-57(51,52)54-34-33-48(2,3)4)56-47(50)30-23-20-17-16-18-21-26-40-31-32-43-36-41-27-24-25-28-42(41)37-44(43)35-40/h24-25,27-28,31-32,35-37,45H,5-23,26,29-30,33-34,38-39H2,1-4H3/t45-/m0/s1