5-decanoyl-2-oxidanyl-benzoate; hexadecyl-(1-hydroxyethyl)-dimethyl-azanium

Systemtic Name: 5-decanoyl-2-oxidanyl-benzoate; hexadecyl-(1-hydroxyethyl)-dimethyl-azanium Openeye Name: 5-decanoyl-2-hydroxy-benzoate; hexadecyl-(1-hydroxyethyl)-dimethyl-ammonium CAS Name: hexadecyl-(1-hydroxyethyl)-dimethylammonium; 2-hydroxy-5-(1-oxodecyl)benzoate IUPAC Name: 5-decanoyl-2-hydroxybenzoate; hexadecyl-(1-hydroxyethyl)-dimethylazanium Traditional Name: 5-capryl-2-hydroxy-benzoate; cetyl-(1-hydroxyethyl)-dimethyl-ammonium Formula: C37H67NO5 MolecularWeight: 605.93158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H44NO.C17H24O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(3,4)20(2)22;1-2-3-4-5-6-7-8-9-15(18)13-10-11-16(19)14(12-13)17(20)21/h20,22H,5-19H2,1-4H3;10-12,19H,2-9H2,1H3,(H,20,21)/q+1;/p-1