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Substance Name: Tetrakis(3,17-diacetoxyestra-1,3,5(10)-trien-2-carboxylato)dicopper(II)
RN: 137268-70-3
InChIKey: SKRRDJXWBLIXHY-UHFFFAOYSA-J

Molecular Formula

  • C92-H108-Cu2-O24

Molecular Weight

  • 1724.9332
 
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Names and Synonyms

Name of Substance

  • Tetrakis(3,17-diacetoxyestra-1,3,5(10)-trien-2-carboxylato)dicopper(II)

Synonyms

  • (Cu-Cu)Tetrakis(mu-((17beta)-3,17-bis(acetyloxy)estra-1,3,5(10)-triene-2-carboxylato-O2:O2'))dicopper
  • 4-Detca-Cu
  • Tetrakis(3,17beta-diacetoxyestra-1,3,5(10)-trien-2-carboxylato)dicopper(II)

Systematic Name

  • Copper, tetrakis(mu-((17beta)-3,17-bis(acetyloxy)estra-1,3,5(10)-triene-2-carboxylato-O2:O2'))di-, (Cu-Cu)

Registry Numbers

CAS Registry Number

  • 137268-70-3

System Generated Number

  • 0137268703

Structure Descriptors

InChI

InChI=1S/4C23H28O6.2Cu/c3*1-12(24)28-20-9-8-19-16-5-6-17-14(15(16)10-11-23(19,20)3)4-7-18(22(26)27)21(17)29-13(2)25;1-12(24)28-20-11-14(22(26)27)10-18-15-8-9-23(3)19(16(15)4-5-17(18)20)6-7-21(23)29-13(2)25;;/h3*4,7,15-16,19-20H,5-6,8-11H2,1-3H3,(H,26,27);10-11,15-16,19,21H,4-9H2,1-3H3,(H,26,27);;/q;;;;2*+2/p-4

InChIKey

SKRRDJXWBLIXHY-UHFFFAOYSA-J

Smiles

[Cu+2].[Cu+2].CC(=O)OC1CCC2C3CCc4c(OC(=O)C)c(ccc4C3CCC12C)C(=O)[O-].CC(=O)OC5CCC6C7CCc8c(OC(=O)C)c(ccc8C7CCC56C)C(=O)[O-].CC(=O)OC9CCC%10C%11CCc%12c(OC(=O)C)c(ccc%12C%11CCC9%10C)C(=O)[O-].CC(=O)OC%13CCC%14C%15CCc%16c(OC(=O)C)cc(cc%16C%15CCC%13%14C)C(=O)[O-]