3-[(E)-docos-13-enoyl]oxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-[(E)-docos-13-enoyl]oxy-4-(trimethylazaniumyl)butanoate Openeye Name: 3-[(E)-docos-13-enoyl]oxy-4-(trimethylammonio)butanoate CAS Name: 3-[(E)-1-oxodocos-13-enoxy]-4-(trimethylammonio)butanoate IUPAC Name: 3-[(E)-docos-13-enoyl]oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 3-[(E)-docos-13-enoyl]oxy-4-(trimethylammonio)butyrate Formula: C29H55NO4 MolecularWeight: 481.7513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C29H55NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h12-13,27H,5-11,14-26H2,1-4H3/b13-12+