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Substance Name: Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate
RN: 116047-36-0
InChIKey: HIZIXJUMHAVKFD-UHFFFAOYSA-N

Note

  • An aromatic spacer used in molecular tweezers.

Molecular Formula

  • C30-H20-O2

Molecular Weight

  • 412.486
 
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Names and Synonyms

Name of Substance

  • Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate

Synonyms

  • Me Pdbac
  • Methyl 7-phenyldibenz(a,j)anthrcene-14-carboxylate

Systematic Name

  • Dibenz(a,j)anthrcene-14-carboxylic acid, 7-phenyl-, methyl ester

Registry Numbers

CAS Registry Number

  • 116047-36-0

System Generated Number

  • 0116047360

Structure Descriptors

InChI

1S/C30H20O2/c1-32-30(31)29-27-22-13-7-5-9-19(22)15-17-24(27)26(21-11-3-2-4-12-21)25-18-16-20-10-6-8-14-23(20)28(25)29/h2-18H,1H3

InChIKey

HIZIXJUMHAVKFD-UHFFFAOYSA-N

Smiles

COC(=O)c1c2c3ccccc3ccc2c(c4c1c5ccccc5cc4)c6ccccc6