barium(2+); 2-methyl-3-nonyl-phenolate

Systemtic Name: barium(2+); 2-methyl-3-nonyl-phenolate Openeye Name: barium(2+); 2-methyl-3-nonyl-phenolate CAS Name: barium(2+); 2-methyl-3-nonylphenolate IUPAC Name: barium(2+); 2-methyl-3-nonylphenolate Traditional Name: barium(2+); 2-methyl-3-nonyl-phenolate Formula: C32H50BaO2 MolecularWeight: 604.0652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H26O.Ba/c2*1-3-4-5-6-7-8-9-11-15-12-10-13-16(17)14(15)2;/h2*10,12-13,17H,3-9,11H2,1-2H3;/q;;+2/p-2