5-decanoyl-2-oxidanyl-benzoate; 4-dodecyl-4-methyl-morpholin-4-ium

Systemtic Name: 5-decanoyl-2-oxidanyl-benzoate; 4-dodecyl-4-methyl-morpholin-4-ium Openeye Name: 5-decanoyl-2-hydroxy-benzoate; 4-dodecyl-4-methyl-morpholin-4-ium CAS Name: 4-dodecyl-4-methylmorpholin-4-ium; 2-hydroxy-5-(1-oxodecyl)benzoate IUPAC Name: 5-decanoyl-2-hydroxybenzoate; 4-dodecyl-4-methylmorpholin-4-ium Traditional Name: 5-capryl-2-hydroxy-benzoate; 4-lauryl-4-methyl-morpholin-4-ium Formula: C34H59NO5 MolecularWeight: 561.83596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H36NO.C17H24O4/c1-3-4-5-6-7-8-9-10-11-12-13-18(2)14-16-19-17-15-18;1-2-3-4-5-6-7-8-9-15(18)13-10-11-16(19)14(12-13)17(20)21/h3-17H2,1-2H3;10-12,19H,2-9H2,1H3,(H,20,21)/q+1;/p-1