(4E,6E)-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]dodeca-4,6-dienoate

Systemtic Name: (4E,6E)-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]dodeca-4,6-dienoate Openeye Name: (4E,6E)-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-dodeca-4,6-dienoate CAS Name: (4E,6E)-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxododeca-4,6-dienoate IUPAC Name: (4E,6E)-2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododeca-4,6-dienoate Traditional Name: (4E,6E)-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-dodeca-4,6-dienoate Formula: C17H29NO4 MolecularWeight: 311.41646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC=CC(=O)C(C(C[N+](C)(C)C)O)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-14(19)16(17(21)22)15(20)13-18(2,3)4/h9-12,15-16,20H,5-8,13H2,1-4H3/b10-9+,12-11+