nickel(2+); 4-octyl-2-(5-octyl-2-oxidanyl-phenyl)sulfanyl-phenol

Systemtic Name: nickel(2+); 4-octyl-2-(5-octyl-2-oxidanyl-phenyl)sulfanyl-phenol Openeye Name: nickelous 2-(2-hydroxy-5-octyl-phenyl)sulfanyl-4-octyl-phenol CAS Name: 2-[(2-hydroxy-5-octylphenyl)thio]-4-octylphenol; nickel(2+) IUPAC Name: 2-(2-hydroxy-5-octylphenyl)sulfanyl-4-octylphenol; nickel(2+) Traditional Name: nickelous 2-[(2-hydroxy-5-octyl-phenyl)thio]-4-octyl-phenol Formula: C28H42NiO2S+2 MolecularWeight: 501.39028

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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