4-(2-methylheptan-2-yl)-2-[5-(2-methylheptan-2-yl)-2-oxidanyl-phenyl]sulfanyl-phenolate; nickel(2+)

Systemtic Name: 4-(2-methylheptan-2-yl)-2-[5-(2-methylheptan-2-yl)-2-oxidanyl-phenyl]sulfanyl-phenolate; nickel(2+) Openeye Name: nickelous 4-(1,1-dimethylhexyl)-2-[5-(1,1-dimethylhexyl)-2-hydroxy-phenyl]sulfanyl-phenolate CAS Name: 2-[[2-hydroxy-5-(2-methylheptan-2-yl)phenyl]thio]-4-(2-methylheptan-2-yl)phenolate; nickel(2+) IUPAC Name: 2-[2-hydroxy-5-(2-methylheptan-2-yl)phenyl]sulfanyl-4-(2-methylheptan-2-yl)phenolate; nickel(2+) Traditional Name: nickelous 4-(1,1-dimethylhexyl)-2-[[5-(1,1-dimethylhexyl)-2-hydroxy-phenyl]thio]phenolate Formula: C56H82NiO4S2 MolecularWeight: 942.07128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C28H42O2S.Ni/c2*1-7-9-11-17-27(3,4)21-13-15-23(29)25(19-21)31-26-20-22(14-16-24(26)30)28(5,6)18-12-10-8-2;/h2*13-16,19-20,29-30H,7-12,17-18H2,1-6H3;/q;;+2/p-2