(11-azaniumyl-5-carboxy-1-oxidanyl-1-oxidanylidene-undecan-6-yl)azanium; 2-azaniumylethylazanium; hexanedioate

Systemtic Name: (11-azaniumyl-5-carboxy-1-oxidanyl-1-oxidanylidene-undecan-6-yl)azanium; 2-azaniumylethylazanium; hexanedioate Openeye Name: (6-azaniumyl-7-carboxy-11-hydroxy-11-oxo-undecyl)ammonium; 2-azaniumylethylammonium; hexanedioate CAS Name: (11-ammonio-5-carboxy-1-hydroxy-1-oxoundecan-6-yl)ammonium; 2-ammonioethylammonium; hexanedioate IUPAC Name: (11-azaniumyl-5-carboxy-1-hydroxy-1-oxoundecan-6-yl)azanium; 2-azaniumylethylazanium; hexanedioate Traditional Name: adipate; (6-ammonio-7-carboxy-11-hydroxy-11-keto-undecyl)ammonium; 2-ammonioethylammonium Formula: C26H52N4O12 MolecularWeight: 612.71068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24N2O4.2C6H10O4.C2H8N2/c13-8-3-1-2-6-10(14)9(12(17)18)5-4-7-11(15)16;2*7-5(8)3-1-2-4-6(9)10;3-1-2-4/h9-10H,1-8,13-14H2,(H,15,16)(H,17,18);2*1-4H2,(H,7,8)(H,9,10);1-4H2