2-(1,2-dimethyl-4H-inden-4-id-2-yl)-5-propyl-furan; zirconium(2+); dichloride

Systemtic Name: 2-(1,2-dimethyl-4H-inden-4-id-2-yl)-5-propyl-furan; zirconium(2+); dichloride Openeye Name: 2-(1,2-dimethyl-4H-inden-4-id-2-yl)-5-propyl-furan; zirconium(2+); dichloride CAS Name: 2-(1,2-dimethyl-4H-inden-4-id-2-yl)-5-propylfuran; zirconium(2+); dichloride IUPAC Name: 2-(1,2-dimethyl-4H-inden-4-id-2-yl)-5-propylfuran; zirconium(2+); dichloride Traditional Name: 2-(1,2-dimethyl-4H-inden-4-id-2-yl)-5-propyl-furan; zirconium(2+); dichloride Formula: C36H38Cl2O2Zr-2 MolecularWeight: 664.81572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(O1)C2(C=C3[C-]=CC=CC3=C2C)C.CCCC1=CC=C(O1)C2(C=C3[C-]=CC=CC3=C2C)C.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCCC1=CC=C(O1)C2(C=C3[C-]=CC=CC3=C2C)C.CCCC1=CC=C(O1)C2(C=C3[C-]=CC=CC3=C2C)C.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C18H19O.2ClH.Zr/c2*1-4-7-15-10-11-17(19-15)18(3)12-14-8-5-6-9-16(14)13(18)2;;;/h2*5-6,9-12H,4,7H2,1-3H3;2*1H;/q2*-1;;;+2/p-2