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Substance Name: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, nickel(2+) salt (2:1)
RN: 55868-93-4
InChIKey: XWWUAVXFGRSGLF-UHFFFAOYSA-L

Molecular Formula

  • C17-H26-O3.1/2Ni

Molecular Weight

  • 613.456
 
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Names and Synonyms

Synonym

  • 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid, nickel(2+) salt (2:1)

Systematic Name

  • Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, nickel(2+) salt (2:1)

Registry Numbers

CAS Registry Number

  • 55868-93-4

System Generated Number

  • 0055868934

Molecular Formulas

Molecular Formula

  • C17-H26-O3.1/2Ni

Molecular Formula Fragments

  • C17-H26-O3
  • COMPONENT
  • Ni

Structure Descriptors

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

InChIKey

XWWUAVXFGRSGLF-UHFFFAOYSA-L

Smiles

CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)[O-].CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)[O-].[Ni+2]