(11E,14E)-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]icosa-11,14-dienoate

Systemtic Name: (11E,14E)-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]icosa-11,14-dienoate Openeye Name: (11E,14E)-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-icosa-11,14-dienoate CAS Name: (11E,14E)-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxoeicosa-11,14-dienoate IUPAC Name: (11E,14E)-2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxoicosa-11,14-dienoate Traditional Name: (11E,14E)-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-eicosa-11,14-dienoate Formula: C25H45NO4 MolecularWeight: 423.6291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)C(C(C[N+](C)(C)C)O)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(27)24(25(29)30)23(28)21-26(2,3)4/h9-10,12-13,23-24,28H,5-8,11,14-21H2,1-4H3/b10-9+,13-12+