barium(2+); 2,4,6-tritert-butylphenolate

Systemtic Name: barium(2+); 2,4,6-tritert-butylphenolate Openeye Name: barium(2+); 2,4,6-tritert-butylphenolate CAS Name: barium(2+); 2,4,6-tritert-butylphenolate IUPAC Name: barium(2+); 2,4,6-tritert-butylphenolate Traditional Name: barium(2+); 2,4,6-tritert-butylphenolate Formula: C36H58BaO2 MolecularWeight: 660.17152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C(C)(C)C.[Ba+2]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C(C)(C)C.[Ba+2]

InChI

InChI=1S/2C18H30O.Ba/c2*1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;/h2*10-11,19H,1-9H3;/q;;+2/p-2