bis[5-(2,5-dimethylhexan-2-yl)-2-oxidanyl-phenyl]sulfanium; butylazanide; nickel

Systemtic Name: bis[5-(2,5-dimethylhexan-2-yl)-2-oxidanyl-phenyl]sulfanium; butylazanide; nickel Openeye Name: bis[2-hydroxy-5-(1,1,4-trimethylpentyl)phenyl]sulfonium; butylazanide; nickel CAS Name: bis[5-(2,5-dimethylhexan-2-yl)-2-hydroxyphenyl]sulfonium; butylazanide; nickel IUPAC Name: bis[5-(2,5-dimethylhexan-2-yl)-2-hydroxyphenyl]sulfanium; butylazanide; nickel Traditional Name: bis[2-hydroxy-5-(1,1,4-trimethylpentyl)phenyl]sulfonium; butylazanide; nickel Formula: C32H53NNiO2S MolecularWeight: 574.52712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH-].CC(C)CCC(C)(C)C1=CC(=C(C=C1)O)[SH+]C2=C(C=CC(=C2)C(C)(C)CCC(C)C)O.[Ni]

Isomeric SMILES

CCCC[NH-].CC(C)CCC(C)(C)C1=CC(=C(C=C1)O)[SH+]C2=C(C=CC(=C2)C(C)(C)CCC(C)C)O.[Ni]

InChI

InChI=1S/C28H42O2S.C4H10N.Ni/c1-19(2)13-15-27(5,6)21-9-11-23(29)25(17-21)31-26-18-22(10-12-24(26)30)28(7,8)16-14-20(3)4;1-2-3-4-5;/h9-12,17-20,29-30H,13-16H2,1-8H3;5H,2-4H2,1H3;/q;-1;/p+1