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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.CCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.[Ni+3]

Isomeric SMILES

CCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.CCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.[Ni+3]

InChI

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