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Substance Name: Diethyl (4b-alpha,4c-alpha,9a-alpha,9b-alpha)-3,6-dichlorocyclobuta(1,2-b:3,4-b')bisbenzofuran-9a,9b(4bH,4cH)-dicarboxylate
RN: 67194-00-7
InChIKey: PACDPKWNDSWLNT-UHFFFAOYSA-N

Molecular Weight

  • 449.284
 
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Names and Synonyms

Name of Substance

  • Diethyl (4b-alpha,4c-alpha,9a-alpha,9b-alpha)-3,6-dichlorocyclobuta(1,2-b:3,4-b')bisbenzofuran-9a,9b(4bH,4cH)-dicarboxylate

Synonym

  • cis,Syn photodimer of ethyl 5-chlorobenzofuran-2-carboxylate

Systematic Name

  • Cyclobuta(1,2-b:4,3-b')bisbenzofuran-5a,5b-dicarboxylic acid, 2,9-dichloro-10b,10c-dihydro-, diethyl ester, (5aalpha,5balpha,10balpha,10calpha)-

Registry Numbers

CAS Registry Number

  • 67194-00-7

System Generated Number

  • 0067194007

Structure Descriptors

InChI

1S/C22H18Cl2O6/c1-3-27-19(25)21-17(13-9-11(23)5-7-15(13)29-21)18-14-10-12(24)6-8-16(14)30-22(18,21)20(26)28-4-2/h5-10,17-18H,3-4H2,1-2H3

InChIKey

PACDPKWNDSWLNT-UHFFFAOYSA-N

Smiles

O1[C@@]2([C@@]3([C@@H](c4cc(ccc4O3)Cl)[C@@H]2c2c1ccc(c2)Cl)C(OCC)=O)C(OCC)=O