[13-methyl-1,2-bis(oxidanyl)-4-oxidanylidene-docosan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [13-methyl-1,2-bis(oxidanyl)-4-oxidanylidene-docosan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(1,2-dihydroxyethyl)-11-methyl-2-oxo-icosyl] 2-(trimethylammonio)ethyl phosphate CAS Name: (1,2-dihydroxy-13-methyl-4-oxodocosan-3-yl) 2-(trimethylammonio)ethyl phosphate IUPAC Name: (1,2-dihydroxy-13-methyl-4-oxodocosan-3-yl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(1,2-dihydroxyethyl)-2-keto-11-methyl-eicosyl] 2-(trimethylammonio)ethyl phosphate Formula: C28H58NO7P MolecularWeight: 551.736381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)CCCCCCCCC(=O)C(C(CO)O)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCC(C)CCCCCCCCC(=O)C(C(CO)O)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C28H58NO7P/c1-6-7-8-9-10-13-16-19-25(2)20-17-14-11-12-15-18-21-26(31)28(27(32)24-30)36-37(33,34)35-23-22-29(3,4)5/h25,27-28,30,32H,6-24H2,1-5H3