barium(2+); 2-nonylphenolate

Systemtic Name: barium(2+); 2-nonylphenolate Openeye Name: barium(2+); 2-nonylphenolate CAS Name: barium(2+); 2-nonylphenolate IUPAC Name: barium(2+); 2-nonylphenolate Traditional Name: barium(2+); 2-nonylphenolate Formula: C30H46BaO2 MolecularWeight: 576.01204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1[O-].CCCCCCCCCC1=CC=CC=C1[O-].[Ba+2]

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1[O-].CCCCCCCCCC1=CC=CC=C1[O-].[Ba+2]

InChI

InChI=1S/2C15H24O.Ba/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;/q;;+2/p-2