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Substance Name: 3-(2-Iodobenzoyl)estrone
RN: 91999-14-3
InChIKey: MGUISTZCIADYNH-KNPBPUNLSA-N

Molecular Formula

  • C25-H25-I-O3

Molecular Weight

  • 500.37
 
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Names and Synonyms

Name of Substance

  • 3-(2-Iodobenzoyl)estrone

Systematic Name

  • Estra-1,3,5(10)-triene-17-one, 3-((2-iodobenzoyl)oxy)-

Registry Numbers

CAS Registry Number

  • 91999-14-3

System Generated Number

  • 0091999143

Structure Descriptors

InChI

1S/C25H25IO3/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/h2-5,7,9,14,18-19,21H,6,8,10-13H2,1H3/t18-,19-,21+,25+/m1/s1

InChIKey

MGUISTZCIADYNH-KNPBPUNLSA-N

Smiles

c1cc(C(Oc2cc3CC[C@@H]4[C@@H](c3cc2)CC[C@@]2([C@H]4CCC2=O)C)=O)c(I)cc1