3-oxidanylidene-2-[1-tridecoxy-2-(trimethylazaniumyl)ethyl]decanoate

Systemtic Name: 3-oxidanylidene-2-[1-tridecoxy-2-(trimethylazaniumyl)ethyl]decanoate Openeye Name: 3-oxo-2-[1-tridecoxy-2-(trimethylammonio)ethyl]decanoate CAS Name: 3-oxo-2-[1-tridecoxy-2-(trimethylammonio)ethyl]decanoate IUPAC Name: 3-oxo-2-[1-tridecoxy-2-(trimethylazaniumyl)ethyl]decanoate Traditional Name: 3-keto-2-[1-tridecoxy-2-(trimethylammonio)ethyl]caprate Formula: C28H55NO4 MolecularWeight: 469.7406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(C[N+](C)(C)C)C(C(=O)CCCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCOC(C[N+](C)(C)C)C(C(=O)CCCCCCC)C(=O)[O-]

InChI

InChI=1S/C28H55NO4/c1-6-8-10-12-13-14-15-16-17-19-21-23-33-26(24-29(3,4)5)27(28(31)32)25(30)22-20-18-11-9-7-2/h26-27H,6-24H2,1-5H3