[(12E,15E,18E)-3-carboxy-2-oxidanyl-4-oxidanylidene-henicosa-12,15,18-trienyl]-trimethyl-azanium

Systemtic Name: [(12E,15E,18E)-3-carboxy-2-oxidanyl-4-oxidanylidene-henicosa-12,15,18-trienyl]-trimethyl-azanium Openeye Name: [(12E,15E,18E)-3-carboxy-2-hydroxy-4-oxo-henicosa-12,15,18-trienyl]-trimethyl-ammonium CAS Name: [(12E,15E,18E)-3-carboxy-2-hydroxy-4-oxoheneicosa-12,15,18-trienyl]-trimethylammonium IUPAC Name: [(12E,15E,18E)-3-carboxy-2-hydroxy-4-oxohenicosa-12,15,18-trienyl]-trimethylazanium Traditional Name: [(12E,15E,18E)-3-carboxy-2-hydroxy-4-keto-heneicosa-12,15,18-trienyl]-trimethyl-ammonium Formula: C25H44NO4+ MolecularWeight: 422.62116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43NO4/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/h6-7,9-10,12-13,23-24,28H,5,8,11,14-21H2,1-4H3/p+1/b7-6+,10-9+,13-12+