bis[(3,5-ditert-butyl-2-ethyl-4-oxidanyl-phenyl)methyl] phosphate; nickel(2+)

Systemtic Name: bis[(3,5-ditert-butyl-2-ethyl-4-oxidanyl-phenyl)methyl] phosphate; nickel(2+) Openeye Name: nickelous bis[(3,5-ditert-butyl-2-ethyl-4-hydroxy-phenyl)methyl] phosphate CAS Name: bis[(3,5-ditert-butyl-2-ethyl-4-hydroxyphenyl)methyl] phosphate; nickel(2+) IUPAC Name: bis[(3,5-ditert-butyl-2-ethyl-4-hydroxyphenyl)methyl] phosphate; nickel(2+) Traditional Name: nickelous bis(3,5-ditert-butyl-2-ethyl-4-hydroxy-benzyl) phosphate Formula: C68H108NiO12P2 MolecularWeight: 1238.218842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1COP(=O)([O-])OCC2=CC(=C(C(=C2CC)C(C)(C)C)O)C(C)(C)C)C(C)(C)C)O)C(C)(C)C.CCC1=C(C(=C(C=C1COP(=O)([O-])OCC2=CC(=C(C(=C2CC)C(C)(C)C)O)C(C)(C)C)C(C)(C)C)O)C(C)(C)C.[Ni+2]

Isomeric SMILES

CCC1=C(C(=C(C=C1COP(=O)([O-])OCC2=CC(=C(C(=C2CC)C(C)(C)C)O)C(C)(C)C)C(C)(C)C)O)C(C)(C)C.CCC1=C(C(=C(C=C1COP(=O)([O-])OCC2=CC(=C(C(=C2CC)C(C)(C)C)O)C(C)(C)C)C(C)(C)C)O)C(C)(C)C.[Ni+2]

InChI

InChI=1S/2C34H55O6P.Ni/c2*1-15-23-21(17-25(31(3,4)5)29(35)27(23)33(9,10)11)19-39-41(37,38)40-20-22-18-26(32(6,7)8)30(36)28(24(22)16-2)34(12,13)14;/h2*17-18,35-36H,15-16,19-20H2,1-14H3,(H,37,38);/q;;+2/p-2