barium(2+); N,N-dioctylaniline; 1-octyl-2-(2-octylphenyl)sulfanyl-benzene

Systemtic Name: barium(2+); N,N-dioctylaniline; 1-octyl-2-(2-octylphenyl)sulfanyl-benzene Openeye Name: barium(2+); N,N-dioctylaniline; 1-octyl-2-(2-octylphenyl)sulfanyl-benzene CAS Name: barium(2+); N,N-dioctylaniline; 1-octyl-2-[(2-octylphenyl)thio]benzene IUPAC Name: barium(2+); N,N-dioctylaniline; 1-octyl-2-(2-octylphenyl)sulfanylbenzene Traditional Name: barium(2+); dioctyl(phenyl)amine; 1-octyl-2-[(2-octylphenyl)thio]benzene Formula: C50H81BaNS+2 MolecularWeight: 865.57684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1SC2=CC=CC=C2CCCCCCCC.CCCCCCCCN(CCCCCCCC)C1=CC=CC=C1.[Ba+2]

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1SC2=CC=CC=C2CCCCCCCC.CCCCCCCCN(CCCCCCCC)C1=CC=CC=C1.[Ba+2]

InChI

InChI=1S/C28H42S.C22H39N.Ba/c1-3-5-7-9-11-13-19-25-21-15-17-23-27(25)29-28-24-18-16-22-26(28)20-14-12-10-8-6-4-2;1-3-5-7-9-11-16-20-23(22-18-14-13-15-19-22)21-17-12-10-8-6-4-2;/h15-18,21-24H,3-14,19-20H2,1-2H3;13-15,18-19H,3-12,16-17,20-21H2,1-2H3;/q;;+2