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Substance Name: Estriol-4-azobenzoic acid
RN: 40761-62-4
InChIKey: POJVIOCXTQEWAT-AFAWJZHLSA-N

Molecular Weight

  • 436.5052
 
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Names and Synonyms

Name of Substance

  • Estriol-4-azobenzoic acid

Systematic Name

  • Benzoic acid, 4-(((16alpha,17beta)-3,16,17-trihydroxyestra-1,3,5(10)-trien-4-yl)azo)-

Registry Numbers

CAS Registry Number

  • 40761-62-4

System Generated Number

  • 0040761624

Structure Descriptors

InChI

1S/C25H28N2O5/c1-25-11-10-16-15-8-9-20(28)22(27-26-14-4-2-13(3-5-14)24(31)32)18(15)7-6-17(16)19(25)12-21(29)23(25)30/h2-5,8-9,16-17,19,21,23,28-30H,6-7,10-12H2,1H3,(H,31,32)/b27-26+/t16-,17-,19+,21-,23+,25+/m1/s1

InChIKey

POJVIOCXTQEWAT-AFAWJZHLSA-N

Smiles

C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(O)c4N=Nc5ccc(cc5)C(=O)O)[C@@H]1C[C@@H](O)[C@@H]2O