[(2S)-3-hexadecanoyloxy-1-oxidanyl-4,5-bis(oxidanylidene)octan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2S)-3-hexadecanoyloxy-1-oxidanyl-4,5-bis(oxidanylidene)octan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(1S)-2-hexadecanoyloxy-1-(hydroxymethyl)-3,4-dioxo-heptyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-1-hydroxy-4,5-dioxo-3-(1-oxohexadecoxy)octan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-3-hexadecanoyloxy-1-hydroxy-4,5-dioxooctan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(1S)-2-hexadecanoyloxy-3,4-diketo-1-methylol-heptyl] 2-(trimethylammonio)ethyl phosphate Formula: C29H56NO9P MolecularWeight: 593.730001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C(CO)OP(=O)([O-])OCC[N+](C)(C)C)C(=O)C(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC([C@H](CO)OP(=O)([O-])OCC[N+](C)(C)C)C(=O)C(=O)CCC

InChI

InChI=1S/C29H56NO9P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(33)38-29(28(34)25(32)20-7-2)26(24-31)39-40(35,36)37-23-22-30(3,4)5/h26,29,31H,6-24H2,1-5H3/t26-,29?/m0/s1