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Substance Name: 3-(2-Iodobenzoyl)estradiol
RN: 91999-13-2
InChIKey: PDYZTYQFBVSZTJ-CWWQDXLCSA-N

Molecular Formula

  • C25-H27-I-O3

Molecular Weight

  • 502.385
 
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Names and Synonyms

Name of Substance

  • 3-(2-Iodobenzoyl)estradiol

Systematic Name

  • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(2-iodobenzoate)

Registry Numbers

CAS Registry Number

  • 91999-13-2

System Generated Number

  • 0091999132

Structure Descriptors

InChI

1S/C25H27IO3/c1-25-13-12-18-17-9-7-16(29-24(28)20-4-2-3-5-22(20)26)14-15(17)6-8-19(18)21(25)10-11-23(25)27/h2-5,7,9,14,18-19,21,23,27H,6,8,10-13H2,1H3/t18-,19-,21+,23+,25+/m1/s1

InChIKey

PDYZTYQFBVSZTJ-CWWQDXLCSA-N

Smiles

c1cc2[C@@H]3[C@@H](CCc2cc1OC(c1ccccc1I)=O)[C@@H]1CC[C@@H]([C@@]1(C)CC3)O