nickel(2+); 4-octyl-2-(5-octyl-2-oxidanidyl-phenyl)sulfanyl-phenolate

Systemtic Name: nickel(2+); 4-octyl-2-(5-octyl-2-oxidanidyl-phenyl)sulfanyl-phenolate Openeye Name: nickelous 4-octyl-2-(5-octyl-2-oxido-phenyl)sulfanyl-phenolate CAS Name: nickel(2+); 4-octyl-2-[(5-octyl-2-oxidophenyl)thio]phenolate IUPAC Name: nickel(2+); 4-octyl-2-(5-octyl-2-oxidophenyl)sulfanylphenolate Traditional Name: nickelous 4-octyl-2-[(5-octyl-2-oxido-phenyl)thio]phenolate Formula: C28H40NiO2S MolecularWeight: 499.3744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42O2S.Ni/c1-3-5-7-9-11-13-15-23-17-19-25(29)27(21-23)31-28-22-24(18-20-26(28)30)16-14-12-10-8-6-4-2;/h17-22,29-30H,3-16H2,1-2H3;/q;+2/p-2