4,6-ditert-butyl-3-(2-hydroxyethylsulfanyl)-2-oxidanyl-phenolate; nickel(2+)

Systemtic Name: 4,6-ditert-butyl-3-(2-hydroxyethylsulfanyl)-2-oxidanyl-phenolate; nickel(2+) Openeye Name: nickelous 4,6-ditert-butyl-2-hydroxy-3-(2-hydroxyethylsulfanyl)phenolate CAS Name: 4,6-ditert-butyl-2-hydroxy-3-(2-hydroxyethylthio)phenolate; nickel(2+) IUPAC Name: 4,6-ditert-butyl-2-hydroxy-3-(2-hydroxyethylsulfanyl)phenolate; nickel(2+) Traditional Name: nickelous 4,6-ditert-butyl-2-hydroxy-3-(2-hydroxyethylthio)phenolate Formula: C32H50NiO6S2 MolecularWeight: 653.5592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1[O-])O)SCCO)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1[O-])O)SCCO)C(C)(C)C.[Ni+2]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1[O-])O)SCCO)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1[O-])O)SCCO)C(C)(C)C.[Ni+2]

InChI

InChI=1S/2C16H26O3S.Ni/c2*1-15(2,3)10-9-11(16(4,5)6)14(20-8-7-17)13(19)12(10)18;/h2*9,17-19H,7-8H2,1-6H3;/q;;+2/p-2