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5-decanoyl-2-oxidanyl-benzoate; trimethylazanium

5-decanoyl-2-oxidanyl-benzoate; trimethylazanium

Systemtic Name:5-decanoyl-2-oxidanyl-benzoate; trimethylazanium
Openeye Name:5-decanoyl-2-hydroxy-benzoate; trimethylammonium
CAS Name:2-hydroxy-5-(1-oxodecyl)benzoate; trimethylammonium
IUPAC Name:5-decanoyl-2-hydroxybenzoate; trimethylazanium
Traditional Name:5-capryl-2-hydroxy-benzoate; trimethylammonium
Formula: C20H33NO4
MolecularWeight: 351.48032
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H24O4.C3H9N/c1-2-3-4-5-6-7-8-9-15(18)13-10-11-16(19)14(12-13)17(20)21;1-4(2)3/h10-12,19H,2-9H2,1H3,(H,20,21);1-3H3


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