12-azaniumyldodecylazanium; terephthalate

Systemtic Name: 12-azaniumyldodecylazanium; terephthalate Openeye Name: 12-azaniumyldodecylammonium; terephthalate CAS Name: 12-ammoniododecylammonium; terephthalate IUPAC Name: 12-azaniumyldodecylazanium; terephthalate Traditional Name: 12-ammoniododecylammonium; terephthalate Formula: C20H34N2O4 MolecularWeight: 366.49496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C(CCCCCC[NH3+])CCCCC[NH3+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C(CCCCCC[NH3+])CCCCC[NH3+]

InChI

InChI=1S/C12H28N2.C8H6O4/c13-11-9-7-5-3-1-2-4-6-8-10-12-14;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-14H2;1-4H,(H,9,10)(H,11,12)