• 
  [Synonyms]
  NSC674964
  AIDS146828
  AIDS-146828
  NCI60_026564
  Spiro[s-indacene-2(1H),2'-[2H]indene]-4-carboxylic acid, 1',3,3',5,6,7-hexahydro-1'-oxo-
  Spiro[s-indacene-2(1H),2'-[2H]indene]-8-carboxylic acid, 3,5,6,7,1',3'-hexahydro-3'-oxo-
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	318.36582 [g/mol]
  Molecular Formula	C21H18O3
  XLogP	3.4
  H-Bond Donor	1
  H-Bond Acceptor	3
  Rotatable Bond Count	1
  Exact Mass	318.125594
  MonoIsotopic Mass	318.125594
  Topological Polar Surface Area	54.4
  Heavy Atom Count	24
  Formal Charge	0
  Complexity	569
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	1
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 3-oxospiro[1H-indene-2,6'-2,3,5,
  7-tetrahydro-1H-s-indacene]-4'-carboxylic acid
  Canonical SMILES: C1CC2=CC3=C(CC4(C3)CC5=CC=CC=C5C4=O)C(=C2C1)C(=O)O
  InChI: InChI=1/C21H18O3/c22-19-16-6-2-1-4-13(16)9-21(19)10-14-8-12-5-3-7-15(12)
  18(20(23)24)17(14)11-21/h1-2,4,6,8H,3,5,7,9-11H2,(H,23,24)/f/h23H