barium(2+); 2,3-di(nonyl)phenolate

Systemtic Name: barium(2+); 2,3-di(nonyl)phenolate Openeye Name: barium(2+); 2,3-di(nonyl)phenolate CAS Name: barium(2+); 2,3-di(nonyl)phenolate IUPAC Name: barium(2+); 2,3-di(nonyl)phenolate Traditional Name: barium(2+); 2,3-di(nonyl)phenolate Formula: C48H82BaO2 MolecularWeight: 828.49048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=CC=C1)[O-])CCCCCCCCC.CCCCCCCCCC1=C(C(=CC=C1)[O-])CCCCCCCCC.[Ba+2]

Isomeric SMILES

CCCCCCCCCC1=C(C(=CC=C1)[O-])CCCCCCCCC.CCCCCCCCCC1=C(C(=CC=C1)[O-])CCCCCCCCC.[Ba+2]

InChI

InChI=1S/2C24H42O.Ba/c2*1-3-5-7-9-11-13-15-18-22-19-17-21-24(25)23(22)20-16-14-12-10-8-6-4-2;/h2*17,19,21,25H,3-16,18,20H2,1-2H3;/q;;+2/p-2