5-dodecanoyl-2-oxidanyl-benzoate; hexadecyl(trimethyl)azanium

Systemtic Name: 5-dodecanoyl-2-oxidanyl-benzoate; hexadecyl(trimethyl)azanium Openeye Name: 5-dodecanoyl-2-hydroxy-benzoate; hexadecyl(trimethyl)ammonium CAS Name: hexadecyl(trimethyl)ammonium; 2-hydroxy-5-(1-oxododecyl)benzoate IUPAC Name: 5-dodecanoyl-2-hydroxybenzoate; hexadecyl(trimethyl)azanium Traditional Name: cetyl(trimethyl)ammonium; 2-hydroxy-5-lauroyl-benzoate Formula: C38H69NO4 MolecularWeight: 603.95876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H42N.C19H28O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2-3-4-5-6-7-8-9-10-11-17(20)15-12-13-18(21)16(14-15)19(22)23/h5-19H2,1-4H3;12-14,21H,2-11H2,1H3,(H,22,23)/q+1;/p-1