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

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

Systemtic Name:2,3-bis(oxidanyl)propyl-tripentyl-azanium dibenzoate chloride
Openeye Name:2,3-dihydroxypropyl(tripentyl)ammonium dibenzoate chloride
CAS Name:2,3-dihydroxypropyl(tripentyl)ammonium dibenzoate chloride
IUPAC Name:2,3-dihydroxypropyl(tripentyl)azanium dibenzoate chloride
Traditional Name:triamyl(glyceryl)ammonium dibenzoate chloride
Formula: C32H50ClNO6-2
MolecularWeight: 580.1955
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H40NO2.2C7H6O2.ClH/c1-4-7-10-13-19(14-11-8-5-2,15-12-9-6-3)16-18(21)17-20;2*8-7(9)6-4-2-1-3-5-6;/h18,20-21H,4-17H2,1-3H3;2*1-5H,(H,8,9);1H/q+1;;;/p-3


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