[(E)-3-carboxy-1-oxidanyl-1-oxidanylidene-henicos-12-en-2-yl]-trimethyl-azanium

Systemtic Name: [(E)-3-carboxy-1-oxidanyl-1-oxidanylidene-henicos-12-en-2-yl]-trimethyl-azanium Openeye Name: [(E)-1,2-dicarboxyicos-11-enyl]-trimethyl-ammonium CAS Name: [(E)-3-carboxy-1-hydroxy-1-oxoheneicos-12-en-2-yl]-trimethylammonium IUPAC Name: [(E)-3-carboxy-1-hydroxy-1-oxohenicos-12-en-2-yl]-trimethylazanium Traditional Name: [(E)-1,2-dicarboxyeicos-11-enyl]-trimethyl-ammonium Formula: C25H48NO4+ MolecularWeight: 426.65292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24(27)28)23(25(29)30)26(2,3)4/h12-13,22-23H,5-11,14-21H2,1-4H3,(H-,27,28,29,30)/p+1/b13-12+