2-butyloctanedioic acid; methyl-di(nonyl)azanium; dibromide

Systemtic Name: 2-butyloctanedioic acid; methyl-di(nonyl)azanium; dibromide Openeye Name: 2-butyloctanedioic acid; methyl-di(nonyl)ammonium; dibromide CAS Name: 2-butyloctanedioic acid; methyl-di(nonyl)ammonium; dibromide IUPAC Name: 2-butyloctanedioic acid; methyl-di(nonyl)azanium; dibromide Traditional Name: 2-butylsuberic acid; methyl-di(nonyl)ammonium; dibromide Formula: C50H106Br2N2O4 MolecularWeight: 959.19564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[NH+](C)CCCCCCCCC.CCCCCCCCC[NH+](C)CCCCCCCCC.CCCCC(CCCCCC(=O)O)C(=O)O.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCC[NH+](C)CCCCCCCCC.CCCCCCCCC[NH+](C)CCCCCCCCC.CCCCC(CCCCCC(=O)O)C(=O)O.[Br-].[Br-]

InChI

InChI=1S/2C19H41N.C12H22O4.2BrH/c2*1-4-6-8-10-12-14-16-18-20(3)19-17-15-13-11-9-7-5-2;1-2-3-7-10(12(15)16)8-5-4-6-9-11(13)14;;/h2*4-19H2,1-3H3;10H,2-9H2,1H3,(H,13,14)(H,15,16);2*1H