2,6-ditert-butyl-3-ethyl-4-phosphonato-phenol; nickel(3+)

Systemtic Name: 2,6-ditert-butyl-3-ethyl-4-phosphonato-phenol; nickel(3+) Openeye Name: nickelic 2,6-ditert-butyl-3-ethyl-4-phosphonato-phenol CAS Name: 2,6-ditert-butyl-3-ethyl-4-phosphonatophenol; nickel(3+) IUPAC Name: 2,6-ditert-butyl-3-ethyl-4-phosphonatophenol; nickel(3+) Traditional Name: nickelic 2,6-ditert-butyl-3-ethyl-4-phosphonato-phenol Formula: C32H50NiO8P2- MolecularWeight: 683.375522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1C(C)(C)C)O)C(C)(C)C)P(=O)([O-])[O-].CCC1=C(C=C(C(=C1C(C)(C)C)O)C(C)(C)C)P(=O)([O-])[O-].[Ni+3]

Isomeric SMILES

CCC1=C(C=C(C(=C1C(C)(C)C)O)C(C)(C)C)P(=O)([O-])[O-].CCC1=C(C=C(C(=C1C(C)(C)C)O)C(C)(C)C)P(=O)([O-])[O-].[Ni+3]

InChI

InChI=1S/2C16H27O4P.Ni/c2*1-8-10-12(21(18,19)20)9-11(15(2,3)4)14(17)13(10)16(5,6)7;/h2*9,17H,8H2,1-7H3,(H2,18,19,20);/q;;+3/p-4