4-tert-butyl-2-methyl-phenol; nickel(2+); 2-(2-oxidanidylphenyl)sulfanylphenolate

Systemtic Name: 4-tert-butyl-2-methyl-phenol; nickel(2+); 2-(2-oxidanidylphenyl)sulfanylphenolate Openeye Name: nickelous; 4-tert-butyl-2-methyl-phenol; 2-(2-oxidophenyl)sulfanylphenolate CAS Name: 4-tert-butyl-2-methylphenol; nickel(2+); 2-[(2-oxidophenyl)thio]phenolate IUPAC Name: 4-tert-butyl-2-methylphenol; nickel(2+); 2-(2-oxidophenyl)sulfanylphenolate Traditional Name: nickelous; 4-tert-butyl-2-methyl-phenol; 2-[(2-oxidophenyl)thio]phenolate Formula: C34H40NiO4S MolecularWeight: 603.4374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)O.CC1=C(C=CC(=C1)C(C)(C)C)O.C1=CC=C(C(=C1)[O-])SC2=CC=CC=C2[O-].[Ni+2]

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)O.CC1=C(C=CC(=C1)C(C)(C)C)O.C1=CC=C(C(=C1)[O-])SC2=CC=CC=C2[O-].[Ni+2]

InChI

InChI=1S/C12H10O2S.2C11H16O.Ni/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;2*1-8-7-9(11(2,3)4)5-6-10(8)12;/h1-8,13-14H;2*5-7,12H,1-4H3;/q;;;+2/p-2