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

Systemtic Name: 3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]docosanoate Openeye Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-docosanoate CAS Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxodocosanoate IUPAC Name: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxodocosanoate Traditional Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-behenate Formula: C27H53NO4 MolecularWeight: 455.71402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(29)26(27(31)32)25(30)23-28(2,3)4/h25-26,30H,5-23H2,1-4H3