5-dodecanoyl-2-oxidanyl-benzoate; triethylazanium

Systemtic Name: 5-dodecanoyl-2-oxidanyl-benzoate; triethylazanium Openeye Name: 5-dodecanoyl-2-hydroxy-benzoate; triethylammonium CAS Name: 2-hydroxy-5-(1-oxododecyl)benzoate; triethylammonium IUPAC Name: 5-dodecanoyl-2-hydroxybenzoate; triethylazanium Traditional Name: 2-hydroxy-5-lauroyl-benzoate; triethylammonium Formula: C25H43NO4 MolecularWeight: 421.61322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O4.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-17(20)15-12-13-18(21)16(14-15)19(22)23;1-4-7(5-2)6-3/h12-14,21H,2-11H2,1H3,(H,22,23);4-6H2,1-3H3