1-azaniumylpropan-2-ylazanium; 3,4,5,6-tetrakis(bromanyl)phthalate

Systemtic Name: 1-azaniumylpropan-2-ylazanium; 3,4,5,6-tetrakis(bromanyl)phthalate Openeye Name: (2-azaniumyl-1-methyl-ethyl)ammonium; 3,4,5,6-tetrabromophthalate CAS Name: 1-ammoniopropan-2-ylammonium; 3,4,5,6-tetrabromophthalate IUPAC Name: 1-azaniumylpropan-2-ylazanium; 3,4,5,6-tetrabromophthalate Traditional Name: (2-ammonio-1-methyl-ethyl)ammonium; 3,4,5,6-tetrabromophthalate Formula: C19H12Br8N2O8-2 MolecularWeight: 1035.53918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH3+])[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

CC(C[NH3+])[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.C3H10N2/c2*9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;1-3(5)2-4/h2*(H,13,14)(H,15,16);3H,2,4-5H2,1H3/p-2