2-[dimethyl-[(E)-nonadec-10-enyl]azaniumyl]-2-methyl-6-oxidanyl-6-oxidanylidene-hexanoate

Systemtic Name: 2-[dimethyl-[(E)-nonadec-10-enyl]azaniumyl]-2-methyl-6-oxidanyl-6-oxidanylidene-hexanoate Openeye Name: 2-[dimethyl-[(E)-nonadec-10-enyl]ammonio]-6-hydroxy-2-methyl-6-oxo-hexanoate CAS Name: 2-[dimethyl-[(E)-nonadec-10-enyl]ammonio]-6-hydroxy-2-methyl-6-oxohexanoate IUPAC Name: 2-[dimethyl-[(E)-nonadec-10-enyl]azaniumyl]-6-hydroxy-2-methyl-6-oxohexanoate Traditional Name: 2-[dimethyl-[(E)-nonadec-10-enyl]ammonio]-6-hydroxy-6-keto-2-methyl-hexanoate Formula: C28H53NO4 MolecularWeight: 467.72472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29(3,4)28(2,27(32)33)24-22-23-26(30)31/h12-13H,5-11,14-25H2,1-4H3,(H-,30,31,32,33)/b13-12+