[(E)-3-carboxy-2-oxidanyl-4-oxidanylidene-henicos-12-enyl]-trimethyl-azanium

Systemtic Name: [(E)-3-carboxy-2-oxidanyl-4-oxidanylidene-henicos-12-enyl]-trimethyl-azanium Openeye Name: [(E)-3-carboxy-2-hydroxy-4-oxo-henicos-12-enyl]-trimethyl-ammonium CAS Name: [(E)-3-carboxy-2-hydroxy-4-oxoheneicos-12-enyl]-trimethylammonium IUPAC Name: [(E)-3-carboxy-2-hydroxy-4-oxohenicos-12-enyl]-trimethylazanium Traditional Name: [(E)-3-carboxy-2-hydroxy-4-keto-heneicos-12-enyl]-trimethyl-ammonium Formula: C25H48NO4+ MolecularWeight: 426.65292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H47NO4/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/h12-13,23-24,28H,5-11,14-21H2,1-4H3/p+1/b13-12+