5-dodecanoyl-2-oxidanyl-benzoate; hexadecylazanium

Systemtic Name: 5-dodecanoyl-2-oxidanyl-benzoate; hexadecylazanium Openeye Name: 5-dodecanoyl-2-hydroxy-benzoate; hexadecylammonium CAS Name: hexadecylammonium; 2-hydroxy-5-(1-oxododecyl)benzoate IUPAC Name: 5-dodecanoyl-2-hydroxybenzoate; hexadecylazanium Traditional Name: cetylammonium; 2-hydroxy-5-lauroyl-benzoate Formula: C35H63NO4 MolecularWeight: 561.87902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH3+].CCCCCCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH3+].CCCCCCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)[O-]

InChI

InChI=1S/C19H28O4.C16H35N/c1-2-3-4-5-6-7-8-9-10-11-17(20)15-12-13-18(21)16(14-15)19(22)23;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h12-14,21H,2-11H2,1H3,(H,22,23);2-17H2,1H3