[2-[12-[[2-[[2,6-bis(chloranyl)phenyl]amino]-2-phenyl-ethanoyl]amino]dodecanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[12-[[2-[[2,6-bis(chloranyl)phenyl]amino]-2-phenyl-ethanoyl]amino]dodecanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[12-[[2-(2,6-dichloroanilino)-2-phenyl-acetyl]amino]dodecanoyloxy]-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[12-[[2-(2,6-dichloroanilino)-1-oxo-2-phenylethyl]amino]-1-oxododecoxy]-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[12-[[2-(2,6-dichloroanilino)-2-phenylacetyl]amino]dodecanoyloxy]-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[12-[[2-(2,6-dichloroanilino)-2-phenyl-acetyl]amino]dodecanoyloxy]-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C52H86Cl2N3O9P MolecularWeight: 999.133701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNC(=O)C(C1=CC=CC=C1)NC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNC(=O)C(C1=CC=CC=C1)NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C52H86Cl2N3O9P/c1-5-6-7-8-9-10-11-12-13-14-15-17-20-23-29-37-48(58)63-42-45(43-65-67(61,62)64-41-40-57(2,3)4)66-49(59)38-30-24-21-18-16-19-22-25-31-39-55-52(60)50(44-33-27-26-28-34-44)56-51-46(53)35-32-36-47(51)54/h26-28,32-36,45,50,56H,5-25,29-31,37-43H2,1-4H3,(H-,55,60,61,62)