decanedioic acid; 8-methyl-8-pentyl-8-azoniabicyclo[3.2.1]octane; dibromide

Systemtic Name: decanedioic acid; 8-methyl-8-pentyl-8-azoniabicyclo[3.2.1]octane; dibromide Openeye Name: decanedioic acid; 8-methyl-8-pentyl-8-azoniabicyclo[3.2.1]octane; dibromide CAS Name: decanedioic acid; 8-methyl-8-pentyl-8-azoniabicyclo[3.2.1]octane; dibromide IUPAC Name: decanedioic acid; 8-methyl-8-pentyl-8-azoniabicyclo[3.2.1]octane; dibromide Traditional Name: 8-amyl-8-methyl-8-azoniabicyclo[3.2.1]octane; sebacic acid; dibromide Formula: C36H70Br2N2O4 MolecularWeight: 754.76

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(C2CCCC1CC2)C.CCCCC[N+]1(C2CCCC1CC2)C.C(CCCCC(=O)O)CCCC(=O)O.[Br-].[Br-]

Isomeric SMILES

CCCCC[N+]1(C2CCCC1CC2)C.CCCCC[N+]1(C2CCCC1CC2)C.C(CCCCC(=O)O)CCCC(=O)O.[Br-].[Br-]

InChI

InChI=1S/2C13H26N.C10H18O4.2BrH/c2*1-3-4-5-11-14(2)12-7-6-8-13(14)10-9-12;11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h2*12-13H,3-11H2,1-2H3;1-8H2,(H,11,12)(H,13,14);2*1H/q2*+1;;;/p-2