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

Systemtic Name: [(E)-3-carboxy-2-oxidanyl-4-oxidanylidene-heptadec-12-enyl]-trimethyl-azanium Openeye Name: [(E)-3-carboxy-2-hydroxy-4-oxo-heptadec-12-enyl]-trimethyl-ammonium CAS Name: [(E)-3-carboxy-2-hydroxy-4-oxoheptadec-12-enyl]-trimethylammonium IUPAC Name: [(E)-3-carboxy-2-hydroxy-4-oxoheptadec-12-enyl]-trimethylazanium Traditional Name: [(E)-3-carboxy-2-hydroxy-4-keto-heptadec-12-enyl]-trimethyl-ammonium Formula: C21H40NO4+ MolecularWeight: 370.5466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(23)20(21(25)26)19(24)17-22(2,3)4/h8-9,19-20,24H,5-7,10-17H2,1-4H3/p+1/b9-8+