2-[1,6-bis(azaniumyl)hexyl]hexanedioate; decanedioate

Systemtic Name: 2-[1,6-bis(azaniumyl)hexyl]hexanedioate; decanedioate Openeye Name: 2-[1,6-bis(azaniumyl)hexyl]hexanedioate; decanedioate CAS Name: decanedioate; 2-(1,6-diammoniohexyl)hexanedioate IUPAC Name: 2-[1,6-bis(azaniumyl)hexyl]hexanedioate; decanedioate Traditional Name: 2-(1,6-diammoniohexyl)adipate; sebacate Formula: C22H40N2O8-2 MolecularWeight: 460.5616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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