(11-azaniumyl-5-carboxy-1-oxidanyl-1-oxidanylidene-undecan-6-yl)azanium; 6-azaniumylhexylazanium; decanedioate

Systemtic Name: (11-azaniumyl-5-carboxy-1-oxidanyl-1-oxidanylidene-undecan-6-yl)azanium; 6-azaniumylhexylazanium; decanedioate Openeye Name: (6-azaniumyl-7-carboxy-11-hydroxy-11-oxo-undecyl)ammonium; 6-azaniumylhexylammonium; decanedioate CAS Name: (11-ammonio-5-carboxy-1-hydroxy-1-oxoundecan-6-yl)ammonium; 6-ammoniohexylammonium; decanedioate IUPAC Name: (11-azaniumyl-5-carboxy-1-hydroxy-1-oxoundecan-6-yl)azanium; 6-azaniumylhexylazanium; decanedioate Traditional Name: (6-ammonio-7-carboxy-11-hydroxy-11-keto-undecyl)ammonium; 6-ammoniohexylammonium; sebacate Formula: C38H76N4O12 MolecularWeight: 781.02964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24N2O4.2C10H18O4.C6H16N2/c13-8-3-1-2-6-10(14)9(12(17)18)5-4-7-11(15)16;2*11-9(12)7-5-3-1-2-4-6-8-10(13)14;7-5-3-1-2-4-6-8/h9-10H,1-8,13-14H2,(H,15,16)(H,17,18);2*1-8H2,(H,11,12)(H,13,14);1-8H2