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

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

Systemtic Name:2-ethylbutanedioic acid; methyl(dioctyl)azanium; dichloride
Openeye Name:2-ethylbutanedioic acid; methyl(dioctyl)ammonium; dichloride
CAS Name:2-ethylbutanedioic acid; methyl(dioctyl)ammonium; dichloride
IUPAC Name:2-ethylbutanedioic acid; methyl(dioctyl)azanium; dichloride
Traditional Name:2-ethylsuccinic acid; methyl(dioctyl)ammonium; dichloride
Formula: C40H86Cl2N2O4
MolecularWeight: 730.02784
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C17H37N.C6H10O4.2ClH/c2*1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-2-4(6(9)10)3-5(7)8;;/h2*4-17H2,1-3H3;4H,2-3H2,1H3,(H,7,8)(H,9,10);2*1H


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