5-decanoyl-2-oxidanyl-benzoate; 2-hydroxyethylazanium

Systemtic Name: 5-decanoyl-2-oxidanyl-benzoate; 2-hydroxyethylazanium Openeye Name: 5-decanoyl-2-hydroxy-benzoate; 2-hydroxyethylammonium CAS Name: 2-hydroxyethylammonium; 2-hydroxy-5-(1-oxodecyl)benzoate IUPAC Name: 5-decanoyl-2-hydroxybenzoate; 2-hydroxyethylazanium Traditional Name: 5-capryl-2-hydroxy-benzoate; 2-hydroxyethylammonium Formula: C19H31NO5 MolecularWeight: 353.45314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)[O-].C(CO)[NH3+]

Isomeric SMILES

CCCCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)[O-].C(CO)[NH3+]

InChI

InChI=1S/C17H24O4.C2H7NO/c1-2-3-4-5-6-7-8-9-15(18)13-10-11-16(19)14(12-13)17(20)21;3-1-2-4/h10-12,19H,2-9H2,1H3,(H,20,21);4H,1-3H2