2-azaniumylethylazanium; 2-carbonobromidoylbenzoate; 2-carbonochloridoylbenzoate

Systemtic Name: 2-azaniumylethylazanium; 2-carbonobromidoylbenzoate; 2-carbonochloridoylbenzoate Openeye Name: 2-azaniumylethylammonium; 2-bromocarbonylbenzoate; 2-chlorocarbonylbenzoate CAS Name: 2-ammonioethylammonium; 2-carbonobromidoylbenzoate; 2-carbonochloridoylbenzoate IUPAC Name: 2-azaniumylethylazanium; 2-carbonobromidoylbenzoate; 2-carbonochloridoylbenzoate Traditional Name: 2-ammonioethylammonium; 2-bromocarbonylbenzoate; 2-chlorocarbonylbenzoate Formula: C66H42Br4Cl4N2O24-6 MolecularWeight: 1708.46668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C8H5BrO3.4C8H5ClO3.C2H8N2/c8*9-7(10)5-3-1-2-4-6(5)8(11)12;3-1-2-4/h8*1-4H,(H,11,12);1-4H2/p-6