3,4-bis(oxidanyl)-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]octadecanoate

Systemtic Name: 3,4-bis(oxidanyl)-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]octadecanoate Openeye Name: 3,4-dihydroxy-2-[1-hydroxy-2-(trimethylammonio)ethyl]octadecanoate CAS Name: 3,4-dihydroxy-2-[1-hydroxy-2-(trimethylammonio)ethyl]octadecanoate IUPAC Name: 3,4-dihydroxy-2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]octadecanoate Traditional Name: 3,4-dihydroxy-2-[1-hydroxy-2-(trimethylammonio)ethyl]stearate Formula: C23H47NO5 MolecularWeight: 417.62298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C(C(C[N+](C)(C)C)O)C(=O)[O-])O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C(C(C(C[N+](C)(C)C)O)C(=O)[O-])O)O

InChI

InChI=1S/C23H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19(25)22(27)21(23(28)29)20(26)18-24(2,3)4/h19-22,25-27H,5-18H2,1-4H3