(Z)-14-oxidanyl-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]icos-14-enoate

Systemtic Name: (Z)-14-oxidanyl-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]icos-14-enoate Openeye Name: (Z)-14-hydroxy-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-icos-14-enoate CAS Name: (Z)-14-hydroxy-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-14-eicosenoate IUPAC Name: (Z)-14-hydroxy-2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxoicos-14-enoate Traditional Name: (Z)-14-hydroxy-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-eicos-14-enoate Formula: C25H47NO5 MolecularWeight: 441.64438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H47NO5/c1-5-6-7-14-17-21(27)18-15-12-10-8-9-11-13-16-19-22(28)24(25(30)31)23(29)20-26(2,3)4/h17,23-24,29H,5-16,18-20H2,1-4H3,(H-,27,30,31)/b21-17-