5-decanoyl-2-oxidanyl-benzoate; 4-methylmorpholin-4-ium

Systemtic Name: 5-decanoyl-2-oxidanyl-benzoate; 4-methylmorpholin-4-ium Openeye Name: 5-decanoyl-2-hydroxy-benzoate; 4-methylmorpholin-4-ium CAS Name: 2-hydroxy-5-(1-oxodecyl)benzoate; 4-methylmorpholin-4-ium IUPAC Name: 5-decanoyl-2-hydroxybenzoate; 4-methylmorpholin-4-ium Traditional Name: 5-capryl-2-hydroxy-benzoate; 4-methylmorpholin-4-ium Formula: C22H35NO5 MolecularWeight: 393.517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)[O-].C[NH+]1CCOCC1

Isomeric SMILES

CCCCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)[O-].C[NH+]1CCOCC1

InChI

InChI=1S/C17H24O4.C5H11NO/c1-2-3-4-5-6-7-8-9-15(18)13-10-11-16(19)14(12-13)17(20)21;1-6-2-4-7-5-3-6/h10-12,19H,2-9H2,1H3,(H,20,21);2-5H2,1H3