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Substance Name: Flocoumafen, trans-
RN: 104563-60-2
UNII: X6IK7X8Z9P
InChIKey: KKBGNYHHEIAGOH-NEKDWFFYSA-N

Molecular Formula

  • C33-H25-F3-O4

Molecular Weight

  • 542.5505
 
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Names and Synonyms

Name of Substance

  • Flocoumafen, trans-

Synonym

  • UNII-X6IK7X8Z9P

Systematic Name

  • 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-3-(4-((4-(trifluoromethyl)phenyl)methoxy)phenyl)-1-naphthalenyl)-, trans-

Registry Numbers

CAS Registry Number

  • 104563-60-2

FDA UNII

  • X6IK7X8Z9P

System Generated Number

  • 0104563602

Structure Descriptors

InChI

1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2/t23-,28+/m0/s1

InChIKey

KKBGNYHHEIAGOH-NEKDWFFYSA-N

Smiles

OC1=C([C@@H]2C[C@H](Cc3ccccc23)c4ccc(OCc5ccc(cc5)C(F)(F)F)cc4)C(=O)Oc6ccccc16