2-[[(E)-icos-11-en-2-yl]-dimethyl-azaniumyl]-2-methyl-6-oxidanyl-6-oxidanylidene-hexanoate

Systemtic Name: 2-[[(E)-icos-11-en-2-yl]-dimethyl-azaniumyl]-2-methyl-6-oxidanyl-6-oxidanylidene-hexanoate Openeye Name: 2-[dimethyl-[(E)-1-methylnonadec-10-enyl]ammonio]-6-hydroxy-2-methyl-6-oxo-hexanoate CAS Name: 2-[[(E)-eicos-11-en-2-yl]-dimethylammonio]-6-hydroxy-2-methyl-6-oxohexanoate IUPAC Name: 6-hydroxy-2-[[(E)-icos-11-en-2-yl]-dimethylazaniumyl]-2-methyl-6-oxohexanoate Traditional Name: 2-[dimethyl-[(E)-1-methylnonadec-10-enyl]ammonio]-6-hydroxy-6-keto-2-methyl-hexanoate Formula: C29H55NO4 MolecularWeight: 481.7513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(C)[N+](C)(C)C(C)(CCCC(=O)O)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C29H55NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(2)30(4,5)29(3,28(33)34)25-22-24-27(31)32/h13-14,26H,6-12,15-25H2,1-5H3,(H-,31,32,33,34)/b14-13+