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Substance Name: (1,1'-Biphenyl)-4-carboxylic acid, 4'-pentyl-, 4'-cyano(1,1'-biphenyl)-4-yl ester
RN: 62622-42-8
InChIKey: VQODCFCSVNXBEE-UHFFFAOYSA-N

Molecular Formula

  • C31-H27-N-O2

Molecular Weight

  • 445.559
 
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Names and Synonyms

Synonyms

  • 4-Cyano-4'-biphenyl 4-pentylbiphenyl-4'-carboxylate
  • EINECS 263-643-8

Systematic Names

  • (1,1'-Biphenyl)-4-carboxylic acid, 4'-pentyl-, 4'-cyano(1,1'-biphenyl)-4-yl ester
  • 4'-Cyano(1,1'-biphenyl)-4-yl 4'-pentyl(1,1'-biphenyl)-4-carboxylate

Registry Numbers

CAS Registry Number

  • 62622-42-8

System Generated Number

  • 0062622428

Structure Descriptors

InChI

1S/C31H27NO2/c1-2-3-4-5-23-6-10-25(11-7-23)27-14-16-29(17-15-27)31(33)34-30-20-18-28(19-21-30)26-12-8-24(22-32)9-13-26/h6-21H,2-5H2,1H3

InChIKey

VQODCFCSVNXBEE-UHFFFAOYSA-N

Smiles

O=C(Oc1ccc(c2ccc(C#N)cc2)cc1)c1ccc(c2ccc(cc2)CCCCC)cc1