5-dodecanoyl-2-oxidanyl-benzoate; 1-hexadecyl-1-methyl-4,5-dihydroimidazol-1-ium

Systemtic Name: 5-dodecanoyl-2-oxidanyl-benzoate; 1-hexadecyl-1-methyl-4,5-dihydroimidazol-1-ium Openeye Name: 5-dodecanoyl-2-hydroxy-benzoate; 1-hexadecyl-1-methyl-4,5-dihydroimidazol-1-ium CAS Name: 1-hexadecyl-1-methyl-4,5-dihydroimidazol-1-ium; 2-hydroxy-5-(1-oxododecyl)benzoate IUPAC Name: 5-dodecanoyl-2-hydroxybenzoate; 1-hexadecyl-1-methyl-4,5-dihydroimidazol-1-ium Traditional Name: 1-cetyl-1-methyl-2-imidazolin-1-ium; 2-hydroxy-5-lauroyl-benzoate Formula: C39H68N2O4 MolecularWeight: 628.96822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CCN=C1)C.CCCCCCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CCN=C1)C.CCCCCCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)[O-]

InChI

InChI=1S/C20H41N2.C19H28O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(2)19-17-21-20-22;1-2-3-4-5-6-7-8-9-10-11-17(20)15-12-13-18(21)16(14-15)19(22)23/h20H,3-19H2,1-2H3;12-14,21H,2-11H2,1H3,(H,22,23)/q+1;/p-1