3-tert-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-benzoate; nickel(2+)

Systemtic Name: 3-tert-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-benzoate; nickel(2+) Openeye Name: nickelous 3-tert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-benzoate CAS Name: 3-tert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]benzoate; nickel(2+) IUPAC Name: 3-tert-butyl-4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxybenzoate; nickel(2+) Traditional Name: nickelous 3-tert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-benzoate Formula: C52H66NiO10 MolecularWeight: 909.76784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2)C(=O)[O-])C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2)C(=O)[O-])C(C)(C)C.[Ni+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2)C(=O)[O-])C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2)C(=O)[O-])C(C)(C)C.[Ni+2]

InChI

InChI=1S/2C26H34O5.Ni/c2*1-24(2,3)17-12-15(22(28)29)10-11-20(17)31-23(30)16-13-18(25(4,5)6)21(27)19(14-16)26(7,8)9;/h2*10-14,27H,1-9H3,(H,28,29);/q;;+2/p-2