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

Systemtic Name: [(12E,15E)-3-carboxy-2-oxidanyl-4-oxidanylidene-nonadeca-12,15-dienyl]-trimethyl-azanium Openeye Name: [(12E,15E)-3-carboxy-2-hydroxy-4-oxo-nonadeca-12,15-dienyl]-trimethyl-ammonium CAS Name: [(12E,15E)-3-carboxy-2-hydroxy-4-oxononadeca-12,15-dienyl]-trimethylammonium IUPAC Name: [(12E,15E)-3-carboxy-2-hydroxy-4-oxononadeca-12,15-dienyl]-trimethylazanium Traditional Name: [(12E,15E)-3-carboxy-2-hydroxy-4-keto-nonadeca-12,15-dienyl]-trimethyl-ammonium Formula: C23H42NO4+ MolecularWeight: 396.58388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(25)22(23(27)28)21(26)19-24(2,3)4/h7-8,10-11,21-22,26H,5-6,9,12-19H2,1-4H3/p+1/b8-7+,11-10+