barium(2+); 4-butylphenolate

Systemtic Name: barium(2+); 4-butylphenolate Openeye Name: barium(2+); 4-butylphenolate CAS Name: barium(2+); 4-butylphenolate IUPAC Name: barium(2+); 4-butylphenolate Traditional Name: barium(2+); 4-butylphenolate Formula: C20H26BaO2 MolecularWeight: 435.74624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)[O-].CCCCC1=CC=C(C=C1)[O-].[Ba+2]

Isomeric SMILES

CCCCC1=CC=C(C=C1)[O-].CCCCC1=CC=C(C=C1)[O-].[Ba+2]

InChI

InChI=1S/2C10H14O.Ba/c2*1-2-3-4-9-5-7-10(11)8-6-9;/h2*5-8,11H,2-4H2,1H3;/q;;+2/p-2