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Substance Name: Cyclohexanecarboxylic acid, 2-(4-(1,1-dimethylethyl)benzoyl)-, compd. with cyclohexane (2:1)
RN: 72987-30-5
InChIKey: CMSFUFCGRAFKSD-UHFFFAOYSA-N

Molecular Formula

  • C18-H24-O3.1/2C6-H12

Molecular Weight

  • 660.93
 
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Names and Synonyms

Synonym

  • Cyclohexanecarboxylic acid, 2-(p-tert-butylbenzoyl)-, compd. with cyclohexane (2:1)

Systematic Name

  • Cyclohexanecarboxylic acid, 2-(4-(1,1-dimethylethyl)benzoyl)-, compd. with cyclohexane (2:1)

Registry Numbers

CAS Registry Number

  • 72987-30-5

System Generated Number

  • 0072987305

Molecular Formulas

Molecular Formula

  • C18-H24-O3.1/2C6-H12

Molecular Formula Fragments

  • C18-H24-O3
  • C6-H12
  • COMPONENT

Structure Descriptors

InChI

1S/2C18H24O3.C6H12/c2*1-18(2,3)13-10-8-12(9-11-13)16(19)14-6-4-5-7-15(14)17(20)21;1-2-4-6-5-3-1/h2*8-11,14-15H,4-7H2,1-3H3,(H,20,21);1-6H2

InChIKey

CMSFUFCGRAFKSD-UHFFFAOYSA-N

Smiles

CC(C)(C)c1ccc(cc1)C(=O)C2CCCCC2C(=O)O.CC(C)(C)c1ccc(cc1)C(=O)C2CCCCC2C(=O)O.C1CCCCC1