3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate; nickel(2+)

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate; nickel(2+) Openeye Name: nickelous 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate; nickel(2+) IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate; nickel(2+) Traditional Name: nickelous 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionate Formula: C34H50NiO6 MolecularWeight: 613.4506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H26O3.Ni/c2*1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;/h2*9-10,20H,7-8H2,1-6H3,(H,18,19);/q;;+2/p-2