6-azaniumylhexylazanium; 3,4,5,6-tetrakis(bromanyl)phthalate

Systemtic Name: 6-azaniumylhexylazanium; 3,4,5,6-tetrakis(bromanyl)phthalate Openeye Name: 6-azaniumylhexylammonium; 3,4,5,6-tetrabromophthalate CAS Name: 6-ammoniohexylammonium; 3,4,5,6-tetrabromophthalate IUPAC Name: 6-azaniumylhexylazanium; 3,4,5,6-tetrabromophthalate Traditional Name: 6-ammoniohexylammonium; 3,4,5,6-tetrabromophthalate Formula: C22H18Br8N2O8-2 MolecularWeight: 1077.61892

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC[NH3+])CC[NH3+].C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)[O-])C(=O)[O-].C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C(CCC[NH3+])CC[NH3+].C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)[O-])C(=O)[O-].C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C8H2Br4O4.C6H16N2/c2*9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;7-5-3-1-2-4-6-8/h2*(H,13,14)(H,15,16);1-8H2/p-2