barium(2+); 2-methyl-3,4-di(nonyl)phenolate

Systemtic Name: barium(2+); 2-methyl-3,4-di(nonyl)phenolate Openeye Name: barium(2+); 2-methyl-3,4-di(nonyl)phenolate CAS Name: barium(2+); 2-methyl-3,4-di(nonyl)phenolate IUPAC Name: barium(2+); 2-methyl-3,4-di(nonyl)phenolate Traditional Name: barium(2+); 2-methyl-3,4-di(nonyl)phenolate Formula: C50H86BaO2 MolecularWeight: 856.54364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C25H44O.Ba/c2*1-4-6-8-10-12-14-16-18-23-20-21-25(26)22(3)24(23)19-17-15-13-11-9-7-5-2;/h2*20-21,26H,4-19H2,1-3H3;/q;;+2/p-2