barium(2+); 2-dodecyl-6-(3-dodecyl-2-oxidanidyl-phenyl)sulfanyl-phenolate

Systemtic Name: barium(2+); 2-dodecyl-6-(3-dodecyl-2-oxidanidyl-phenyl)sulfanyl-phenolate Openeye Name: barium(2+); 2-dodecyl-6-(3-dodecyl-2-oxido-phenyl)sulfanyl-phenolate CAS Name: barium(2+); 2-dodecyl-6-[(3-dodecyl-2-oxidophenyl)thio]phenolate IUPAC Name: barium(2+); 2-dodecyl-6-(3-dodecyl-2-oxidophenyl)sulfanylphenolate Traditional Name: barium(2+); 2-lauryl-6-[(3-lauryl-2-oxido-phenyl)thio]phenolate Formula: C36H56BaO2S MolecularWeight: 690.22064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)SC2=CC=CC(=C2[O-])CCCCCCCCCCCC)[O-].[Ba+2]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)SC2=CC=CC(=C2[O-])CCCCCCCCCCCC)[O-].[Ba+2]

InChI

InChI=1S/C36H58O2S.Ba/c1-3-5-7-9-11-13-15-17-19-21-25-31-27-23-29-33(35(31)37)39-34-30-24-28-32(36(34)38)26-22-20-18-16-14-12-10-8-6-4-2;/h23-24,27-30,37-38H,3-22,25-26H2,1-2H3;/q;+2/p-2