[(12E,15E)-3-carboxy-2-oxidanyl-4-oxidanylidene-henicosa-12,15-dienyl]-trimethyl-azanium

Systemtic Name: [(12E,15E)-3-carboxy-2-oxidanyl-4-oxidanylidene-henicosa-12,15-dienyl]-trimethyl-azanium Openeye Name: [(12E,15E)-3-carboxy-2-hydroxy-4-oxo-henicosa-12,15-dienyl]-trimethyl-ammonium CAS Name: [(12E,15E)-3-carboxy-2-hydroxy-4-oxoheneicosa-12,15-dienyl]-trimethylammonium IUPAC Name: [(12E,15E)-3-carboxy-2-hydroxy-4-oxohenicosa-12,15-dienyl]-trimethylazanium Traditional Name: [(12E,15E)-3-carboxy-2-hydroxy-4-keto-heneicosa-12,15-dienyl]-trimethyl-ammonium Formula: C25H46NO4+ MolecularWeight: 424.63704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)C(C(C[N+](C)(C)C)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(27)24(25(29)30)23(28)21-26(2,3)4/h9-10,12-13,23-24,28H,5-8,11,14-21H2,1-4H3/p+1/b10-9+,13-12+