2,6-ditert-butyl-4-(1-phosphonatopropyl)phenol; nickel(3+)

Systemtic Name: 2,6-ditert-butyl-4-(1-phosphonatopropyl)phenol; nickel(3+) Openeye Name: nickelic 2,6-ditert-butyl-4-(1-phosphonatopropyl)phenol CAS Name: 2,6-ditert-butyl-4-(1-phosphonatopropyl)phenol; nickel(3+) IUPAC Name: 2,6-ditert-butyl-4-(1-phosphonatopropyl)phenol; nickel(3+) Traditional Name: nickelic 2,6-ditert-butyl-4-(1-phosphonatopropyl)phenol Formula: C34H54NiO8P2- MolecularWeight: 711.428682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)([O-])[O-].CCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)([O-])[O-].[Ni+3]

Isomeric SMILES

CCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)([O-])[O-].CCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)([O-])[O-].[Ni+3]

InChI

InChI=1S/2C17H29O4P.Ni/c2*1-8-14(22(19,20)21)11-9-12(16(2,3)4)15(18)13(10-11)17(5,6)7;/h2*9-10,14,18H,8H2,1-7H3,(H2,19,20,21);/q;;+3/p-4