barium(2+); 2-heptylphenol; dicarbamodithioate

Systemtic Name: barium(2+); 2-heptylphenol; dicarbamodithioate Openeye Name: barium(2+); 2-heptylphenol; dicarbamodithioate CAS Name: barium(2+); 2-heptylphenol; dicarbamodithioate IUPAC Name: barium(2+); 2-heptylphenol; dicarbamodithioate Traditional Name: barium(2+); 2-heptylphenol; dicarbamodithioate Formula: C28H44BaN2O2S4 MolecularWeight: 706.24816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC=C1O.CCCCCCCC1=CC=CC=C1O.C(=S)(N)[S-].C(=S)(N)[S-].[Ba+2]

Isomeric SMILES

CCCCCCCC1=CC=CC=C1O.CCCCCCCC1=CC=CC=C1O.C(=S)(N)[S-].C(=S)(N)[S-].[Ba+2]

InChI

InChI=1S/2C13H20O.2CH3NS2.Ba/c2*1-2-3-4-5-6-9-12-10-7-8-11-13(12)14;2*2-1(3)4;/h2*7-8,10-11,14H,2-6,9H2,1H3;2*(H3,2,3,4);/q;;;;+2/p-2