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2,3-bis(oxidanyl)propyl-diethyl-pentyl-azanium; phthalate

2,3-bis(oxidanyl)propyl-diethyl-pentyl-azanium; phthalate

Systemtic Name:2,3-bis(oxidanyl)propyl-diethyl-pentyl-azanium; phthalate
Openeye Name:2,3-dihydroxypropyl-diethyl-pentyl-ammonium; phthalate
CAS Name:2,3-dihydroxypropyl-diethyl-pentylammonium; phthalate
IUPAC Name:2,3-dihydroxypropyl-diethyl-pentylazanium; phthalate
Traditional Name:amyl-diethyl-glyceryl-ammonium; phthalate
Formula: C32H60N2O8
MolecularWeight: 600.8274
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C12H28NO2.C8H6O4/c2*1-4-7-8-9-13(5-2,6-3)10-12(15)11-14;9-7(10)5-3-1-2-4-6(5)8(11)12/h2*12,14-15H,4-11H2,1-3H3;1-4H,(H,9,10)(H,11,12)/q2*+1;/p-2


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