barium(2+); 2-octylphenolate; disulfide

Systemtic Name: barium(2+); 2-octylphenolate; disulfide Openeye Name: barium(2+); 2-octylphenolate; disulfide CAS Name: barium(2+); 2-octylphenolate; disulfide IUPAC Name: barium(2+); 2-octylphenolate; disulfide Traditional Name: barium(2+); 2-octylphenolate; disulfide Formula: C28H42Ba3O2S2 MolecularWeight: 886.74288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1[O-].CCCCCCCCC1=CC=CC=C1[O-].[S-2].[S-2].[Ba+2].[Ba+2].[Ba+2]

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1[O-].CCCCCCCCC1=CC=CC=C1[O-].[S-2].[S-2].[Ba+2].[Ba+2].[Ba+2]

InChI

InChI=1S/2C14H22O.3Ba.2S/c2*1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;;;;;/h2*8-9,11-12,15H,2-7,10H2,1H3;;;;;/q;;3*+2;2*-2/p-2