barium(2+); 2-heptylphenol

Systemtic Name: barium(2+); 2-heptylphenol Openeye Name: barium(2+); 2-heptylphenol CAS Name: barium(2+); 2-heptylphenol IUPAC Name: barium(2+); 2-heptylphenol Traditional Name: barium(2+); 2-heptylphenol Formula: C26H40BaO2+2 MolecularWeight: 521.9216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC=C1O.CCCCCCCC1=CC=CC=C1O.[Ba+2]

Isomeric SMILES

CCCCCCCC1=CC=CC=C1O.CCCCCCCC1=CC=CC=C1O.[Ba+2]

InChI

InChI=1S/2C13H20O.Ba/c2*1-2-3-4-5-6-9-12-10-7-8-11-13(12)14;/h2*7-8,10-11,14H,2-6,9H2,1H3;/q;;+2