(5-azaniumyl-2-methyl-pentyl)azanium; benzene-1,3-dicarboxylate

Systemtic Name: (5-azaniumyl-2-methyl-pentyl)azanium; benzene-1,3-dicarboxylate Openeye Name: (5-azaniumyl-2-methyl-pentyl)ammonium; benzene-1,3-dicarboxylate CAS Name: (5-ammonio-2-methylpentyl)ammonium; benzene-1,3-dicarboxylate IUPAC Name: (5-azaniumyl-2-methylpentyl)azanium; benzene-1,3-dicarboxylate Traditional Name: (5-ammonio-2-methyl-pentyl)ammonium; isophthalate Formula: C14H22N2O4 MolecularWeight: 282.33548

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC[NH3+])C[NH3+].C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(CCC[NH3+])C[NH3+].C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C8H6O4.C6H16N2/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-6(5-8)3-2-4-7/h1-4H,(H,9,10)(H,11,12);6H,2-5,7-8H2,1H3