calcium 3,5-bis(bromanyl)benzoate

Systemtic Name: calcium 3,5-bis(bromanyl)benzoate Openeye Name: calcium 3,5-dibromobenzoate CAS Name: calcium 3,5-dibromobenzoate IUPAC Name: calcium 3,5-dibromobenzoate Traditional Name: calcium 3,5-dibromobenzoate Formula: C14H6Br4CaO4 MolecularWeight: 597.88904

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1Br)Br)C(=O)[O-].C1=C(C=C(C=C1Br)Br)C(=O)[O-].[Ca+2]

Isomeric SMILES

C1=C(C=C(C=C1Br)Br)C(=O)[O-].C1=C(C=C(C=C1Br)Br)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C7H4Br2O2.Ca/c2*8-5-1-4(7(10)11)2-6(9)3-5;/h2*1-3H,(H,10,11);/q;;+2/p-2