[3,4-bis(oxidanyl)-6-oxidanylidene-1-(trimethylazaniumyl)henicosan-2-yl] hydrogen phosphate

Systemtic Name: [3,4-bis(oxidanyl)-6-oxidanylidene-1-(trimethylazaniumyl)henicosan-2-yl] hydrogen phosphate Openeye Name: [2,3-dihydroxy-5-oxo-1-[(trimethylammonio)methyl]icosyl] hydrogen phosphate CAS Name: [3,4-dihydroxy-6-oxo-1-(trimethylammonio)heneicosan-2-yl] hydrogen phosphate IUPAC Name: [3,4-dihydroxy-6-oxo-1-(trimethylazaniumyl)henicosan-2-yl] hydrogen phosphate Traditional Name: [2,3-dihydroxy-5-keto-1-[(trimethylammonio)methyl]eicosyl] hydrogen phosphate Formula: C24H50NO7P MolecularWeight: 495.630061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)CC(C(C(C[N+](C)(C)C)OP(=O)(O)[O-])O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)CC(C(C(C[N+](C)(C)C)OP(=O)(O)[O-])O)O

InChI

InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(26)19-22(27)24(28)23(20-25(2,3)4)32-33(29,30)31/h22-24,27-28H,5-20H2,1-4H3,(H-,29,30,31)