barium(2+); 4-bromanyl-3,5-dimethyl-benzoate

Systemtic Name: barium(2+); 4-bromanyl-3,5-dimethyl-benzoate Openeye Name: barium(2+); 4-bromo-3,5-dimethyl-benzoate CAS Name: barium(2+); 4-bromo-3,5-dimethylbenzoate IUPAC Name: barium(2+); 4-bromo-3,5-dimethylbenzoate Traditional Name: barium(2+); 4-bromo-3,5-dimethyl-benzoate Formula: C18H16BaBr2O4 MolecularWeight: 593.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)C(=O)[O-].CC1=CC(=CC(=C1Br)C)C(=O)[O-].[Ba+2]

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)C(=O)[O-].CC1=CC(=CC(=C1Br)C)C(=O)[O-].[Ba+2]

InChI

InChI=1S/2C9H9BrO2.Ba/c2*1-5-3-7(9(11)12)4-6(2)8(5)10;/h2*3-4H,1-2H3,(H,11,12);/q;;+2/p-2