5-decanoyl-2-oxidanyl-benzoate; dodecyl-ethyl-dimethyl-azanium

Systemtic Name: 5-decanoyl-2-oxidanyl-benzoate; dodecyl-ethyl-dimethyl-azanium Openeye Name: 5-decanoyl-2-hydroxy-benzoate; dodecyl-ethyl-dimethyl-ammonium CAS Name: dodecyl-ethyl-dimethylammonium; 2-hydroxy-5-(1-oxodecyl)benzoate IUPAC Name: 5-decanoyl-2-hydroxybenzoate; dodecyl-ethyl-dimethylazanium Traditional Name: 5-capryl-2-hydroxy-benzoate; ethyl-lauryl-dimethyl-ammonium Formula: C33H59NO4 MolecularWeight: 533.82586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O4.C16H36N/c1-2-3-4-5-6-7-8-9-15(18)13-10-11-16(19)14(12-13)17(20)21;1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2/h10-12,19H,2-9H2,1H3,(H,20,21);5-16H2,1-4H3/q;+1/p-1