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nickel(2+); 3-octyl-2-(2-octyl-6-oxidanidyl-phenyl)sulfanyl-phenolate

nickel(2+); 3-octyl-2-(2-octyl-6-oxidanidyl-phenyl)sulfanyl-phenolate

Systemtic Name:nickel(2+); 3-octyl-2-(2-octyl-6-oxidanidyl-phenyl)sulfanyl-phenolate
Openeye Name:nickelous 3-octyl-2-(2-octyl-6-oxido-phenyl)sulfanyl-phenolate
CAS Name:nickel(2+); 3-octyl-2-[(2-octyl-6-oxidophenyl)thio]phenolate
IUPAC Name:nickel(2+); 3-octyl-2-(2-octyl-6-oxidophenyl)sulfanylphenolate
Traditional Name:nickelous 3-octyl-2-[(2-octyl-6-oxido-phenyl)thio]phenolate
Formula: C28H40NiO2S
MolecularWeight: 499.3744
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=CC=C1)[O-])SC2=C(C=CC=C2[O-])CCCCCCCC.[Ni+2]


Isomeric SMILES

CCCCCCCCC1=C(C(=CC=C1)[O-])SC2=C(C=CC=C2[O-])CCCCCCCC.[Ni+2]


InChI

InChI=1S/C28H42O2S.Ni/c1-3-5-7-9-11-13-17-23-19-15-21-25(29)27(23)31-28-24(20-16-22-26(28)30)18-14-12-10-8-6-4-2;/h15-16,19-22,29-30H,3-14,17-18H2,1-2H3;/q;+2/p-2


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