3-octadecoxy-4-oxidanylidene-5-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]furan-2-olate

Systemtic Name: 3-octadecoxy-4-oxidanylidene-5-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]furan-2-olate Openeye Name: 5-[1-hydroxy-2-(trimethylammonio)ethyl]-3-octadecoxy-4-oxo-furan-2-olate CAS Name: 5-[1-hydroxy-2-(trimethylammonio)ethyl]-3-octadecoxy-4-oxo-2-furanolate IUPAC Name: 5-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-octadecoxy-4-oxofuran-2-olate Traditional Name: 5-[1-hydroxy-2-(trimethylammonio)ethyl]-4-keto-3-stearyloxy-furan-2-olate Formula: C27H51NO5 MolecularWeight: 469.69754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(OC(C1=O)C(C[N+](C)(C)C)O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(OC(C1=O)C(C[N+](C)(C)C)O)[O-]

InChI

InChI=1S/C27H51NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-26-24(30)25(33-27(26)31)23(29)22-28(2,3)4/h23,25,29H,5-22H2,1-4H3