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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)[O-])Br)C.CC1=CC(=C(C=C1C(=O)[O-])Br)C.[Ba+2]

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[O-])Br)C.CC1=CC(=C(C=C1C(=O)[O-])Br)C.[Ba+2]

InChI

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