5-dodecanoyl-2-oxidanyl-benzoate; tris(2-oxidanylpropyl)azanium

Systemtic Name: 5-dodecanoyl-2-oxidanyl-benzoate; tris(2-oxidanylpropyl)azanium Openeye Name: 5-dodecanoyl-2-hydroxy-benzoate; tris(2-hydroxypropyl)ammonium CAS Name: 2-hydroxy-5-(1-oxododecyl)benzoate; tris(2-hydroxypropyl)ammonium IUPAC Name: 5-dodecanoyl-2-hydroxybenzoate; tris(2-hydroxypropyl)azanium Traditional Name: 2-hydroxy-5-lauroyl-benzoate; tris(2-hydroxypropyl)ammonium Formula: C28H49NO7 MolecularWeight: 511.69116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O4.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-11-17(20)15-12-13-18(21)16(14-15)19(22)23;1-7(11)4-10(5-8(2)12)6-9(3)13/h12-14,21H,2-11H2,1H3,(H,22,23);7-9,11-13H,4-6H2,1-3H3