4-oxidanyl-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]hexadecanoate

Systemtic Name: 4-oxidanyl-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]hexadecanoate Openeye Name: 4-hydroxy-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-hexadecanoate CAS Name: 4-hydroxy-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxohexadecanoate IUPAC Name: 4-hydroxy-2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxohexadecanoate Traditional Name: 4-hydroxy-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-palmitate Formula: C21H41NO5 MolecularWeight: 387.55394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-15-17(23)20(25)19(21(26)27)18(24)16-22(2,3)4/h17-19,23-24H,5-16H2,1-4H3