3,8-bis(oxidanylidene)-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]dodecanoate

Systemtic Name: 3,8-bis(oxidanylidene)-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]dodecanoate Openeye Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3,8-dioxo-dodecanoate CAS Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3,8-dioxododecanoate IUPAC Name: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3,8-dioxododecanoate Traditional Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3,8-diketo-laurate Formula: C17H31NO5 MolecularWeight: 329.43174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H31NO5/c1-5-6-9-13(19)10-7-8-11-14(20)16(17(22)23)15(21)12-18(2,3)4/h15-16,21H,5-12H2,1-4H3