2,3-bis(oxidanyl)propyl-tripropyl-azanium dibenzoate chloride

Systemtic Name: 2,3-bis(oxidanyl)propyl-tripropyl-azanium dibenzoate chloride Openeye Name: 2,3-dihydroxypropyl(tripropyl)ammonium dibenzoate chloride CAS Name: 2,3-dihydroxypropyl(tripropyl)ammonium dibenzoate chloride IUPAC Name: 2,3-dihydroxypropyl(tripropyl)azanium dibenzoate chloride Traditional Name: glyceryl(tripropyl)ammonium dibenzoate chloride Formula: C26H38ClNO6-2 MolecularWeight: 496.03602

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)CC(CO)O.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Cl-]

Isomeric SMILES

CCC[N+](CCC)(CCC)CC(CO)O.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Cl-]

InChI

InChI=1S/C12H28NO2.2C7H6O2.ClH/c1-4-7-13(8-5-2,9-6-3)10-12(15)11-14;2*8-7(9)6-4-2-1-3-5-6;/h12,14-15H,4-11H2,1-3H3;2*1-5H,(H,8,9);1H/q+1;;;/p-3