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2-ethylpentanedioic acid; methyl(dioctyl)azanium; dichloride

2-ethylpentanedioic acid; methyl(dioctyl)azanium; dichloride

Systemtic Name:2-ethylpentanedioic acid; methyl(dioctyl)azanium; dichloride
Openeye Name:2-ethylpentanedioic acid; methyl(dioctyl)ammonium; dichloride
CAS Name:2-ethylpentanedioic acid; methyl(dioctyl)ammonium; dichloride
IUPAC Name:2-ethylpentanedioic acid; methyl(dioctyl)azanium; dichloride
Traditional Name:2-ethylglutaric acid; methyl(dioctyl)ammonium; dichloride
Formula: C41H88Cl2N2O4
MolecularWeight: 744.05442
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[NH+](C)CCCCCCCC.CCCCCCCC[NH+](C)CCCCCCCC.CCC(CCC(=O)O)C(=O)O.[Cl-].[Cl-]


Isomeric SMILES

CCCCCCCC[NH+](C)CCCCCCCC.CCCCCCCC[NH+](C)CCCCCCCC.CCC(CCC(=O)O)C(=O)O.[Cl-].[Cl-]


InChI

InChI=1S/2C17H37N.C7H12O4.2ClH/c2*1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-2-5(7(10)11)3-4-6(8)9;;/h2*4-17H2,1-3H3;5H,2-4H2,1H3,(H,8,9)(H,10,11);2*1H


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