2-[[17-[(1S)-1,2-bis(oxidanyl)ethyl]-2,6,10,14,20,24,28,32-octamethyl-16,18-bis(oxidanylidene)tritriacontan-17-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[17-[(1S)-1,2-bis(oxidanyl)ethyl]-2,6,10,14,20,24,28,32-octamethyl-16,18-bis(oxidanylidene)tritriacontan-17-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-[(1S)-1,2-dihydroxyethyl]-4,8,12,16-tetramethyl-2-oxo-1-(3,7,11,15-tetramethylhexadecanoyl)heptadecoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[17-[(1S)-1,2-dihydroxyethyl]-2,6,10,14,20,24,28,32-octamethyl-16,18-dioxotritriacontan-17-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[17-[(1S)-1,2-dihydroxyethyl]-2,6,10,14,20,24,28,32-octamethyl-16,18-dioxotritriacontan-17-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-[(1S)-1,2-dihydroxyethyl]-2-keto-4,8,12,16-tetramethyl-1-(3,7,11,15-tetramethylhexadecanoyl)heptadecoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C48H97NO8P+ MolecularWeight: 847.259441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)C(C(CO)O)(C(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)C([C@H](CO)O)(C(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C48H96NO8P/c1-37(2)20-14-22-39(5)24-16-26-41(7)28-18-30-43(9)34-45(51)48(47(53)36-50,57-58(54,55)56-33-32-49(11,12)13)46(52)35-44(10)31-19-29-42(8)27-17-25-40(6)23-15-21-38(3)4/h37-44,47,50,53H,14-36H2,1-13H3/p+1/t39?,40?,41?,42?,43?,44?,47-,48?/m0/s1