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

Systemtic Name: [(2S)-3-octadecanoyloxy-1-oxidanyl-4,5-bis(oxidanylidene)octan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(1S)-1-(hydroxymethyl)-2-octadecanoyloxy-3,4-dioxo-heptyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-1-hydroxy-4,5-dioxo-3-(1-oxooctadecoxy)octan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-1-hydroxy-3-octadecanoyloxy-4,5-dioxooctan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(1S)-3,4-diketo-1-methylol-2-stearoyloxy-heptyl] 2-(trimethylammonio)ethyl phosphate Formula: C31H60NO9P MolecularWeight: 621.783161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H60NO9P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-29(35)40-31(30(36)27(34)22-7-2)28(26-33)41-42(37,38)39-25-24-32(3,4)5/h28,31,33H,6-26H2,1-5H3/t28-,31?/m0/s1