[(5E,7E,9E)-3-carboxy-2-oxidanyl-4-oxidanylidene-henicosa-5,7,9-trienyl]-trimethyl-azanium

Systemtic Name: [(5E,7E,9E)-3-carboxy-2-oxidanyl-4-oxidanylidene-henicosa-5,7,9-trienyl]-trimethyl-azanium Openeye Name: [(5E,7E,9E)-3-carboxy-2-hydroxy-4-oxo-henicosa-5,7,9-trienyl]-trimethyl-ammonium CAS Name: [(5E,7E,9E)-3-carboxy-2-hydroxy-4-oxoheneicosa-5,7,9-trienyl]-trimethylammonium IUPAC Name: [(5E,7E,9E)-3-carboxy-2-hydroxy-4-oxohenicosa-5,7,9-trienyl]-trimethylazanium Traditional Name: [(5E,7E,9E)-3-carboxy-2-hydroxy-4-keto-heneicosa-5,7,9-trienyl]-trimethyl-ammonium Formula: C25H44NO4+ MolecularWeight: 422.62116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CC=CC=CC(=O)C(C(C[N+](C)(C)C)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCC/C=C/C=C/C=C/C(=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/h15-20,23-24,28H,5-14,21H2,1-4H3/p+1/b16-15+,18-17+,20-19+