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Substance Name: Phenestrol
RN: 19659-38-2
InChIKey: GTWGWCYJKHSRHO-UHFFFAOYSA-N

Molecular Formula

  • C42-H48-Cl4-N2-O4

Molecular Weight

  • 786.663
 
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Names and Synonyms

Name of Substance

  • Phenestrol

Synonym

  • Fenestrol

Systematic Name

  • Benzeneacetic acid, 4-(bis(2-chloroethyl)amino)-, (1,2-diethyl-1,2-ethanediyl)di-4,1-phenylene ester

Registry Numbers

CAS Registry Number

  • 19659-38-2

System Generated Number

  • 0019659382

Structure Descriptors

InChI

1S/C42H48Cl4N2O4/c1-3-39(33-9-17-37(18-10-33)51-41(49)29-31-5-13-35(14-6-31)47(25-21-43)26-22-44)40(4-2)34-11-19-38(20-12-34)52-42(50)30-32-7-15-36(16-8-32)48(27-23-45)28-24-46/h5-20,39-40H,3-4,21-30H2,1-2H3

InChIKey

GTWGWCYJKHSRHO-UHFFFAOYSA-N

Smiles

C(C)[C@@H]([C@@H](CC)c1ccc(cc1)OC(Cc1ccc(cc1)N(CCCl)CCCl)=O)c1ccc(cc1)OC(Cc1ccc(cc1)N(CCCl)CCCl)=O