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Substance Name: 17-Fluorescein estrone
RN: 76841-57-1
InChIKey: LCPHNORCKAADNE-PWTOWLQRSA-N

Molecular Weight

  • 673.786
 
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Names and Synonyms

Name of Substance

  • 17-Fluorescein estrone

Synonym

  • Estrone-17-fluorescein

Systematic Name

  • Estra-1,3,5(10)-trien-17-one, 3-hydroxy-, (((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)amino)thioxomethyl)hydrazone

Registry Numbers

CAS Registry Number

  • 76841-57-1

System Generated Number

  • 0076841571

Structure Descriptors

InChI

1S/C39H35N3O6S/c1-38-15-14-26-25-8-4-22(43)16-20(25)2-7-27(26)29(38)12-13-35(38)41-42-37(49)40-21-3-9-30-28(17-21)36(46)48-39(30)31-10-5-23(44)18-33(31)47-34-19-24(45)6-11-32(34)39/h3-6,8-11,16-19,26-27,29,43-45H,2,7,12-15H2,1H3,(H2,40,42,49)/b41-35+/t26-,27-,29+,38+/m1/s1

InChIKey

LCPHNORCKAADNE-PWTOWLQRSA-N

Smiles

c1(ccc2[C@H]3CC[C@@]4(C(\CC[C@@H]4[C@@H]3CCc2c1)=N/NC(=S)Nc1cc2C(OC3(c2cc1)c1ccc(cc1Oc1cc(ccc31)O)O)=O)C)O