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

Systemtic Name: 2-(4-propan-2-yl-1H-inden-1-id-2-yl)-5-propyl-furan; zirconium(4+); dichloride Openeye Name: 2-(4-isopropyl-1H-inden-1-id-2-yl)-5-propyl-furan; zirconium(4+); dichloride CAS Name: 2-(4-propan-2-yl-1H-inden-1-id-2-yl)-5-propylfuran; zirconium(4+); dichloride IUPAC Name: 2-(4-propan-2-yl-1H-inden-1-id-2-yl)-5-propylfuran; zirconium(4+); dichloride Traditional Name: 2-(4-isopropyl-1H-inden-1-id-2-yl)-5-propyl-furan; zirconium(4+); dichloride Formula: C38H42Cl2O2Zr MolecularWeight: 692.86888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C(C)C.CCCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C(C)C.CCCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C19H21O.2ClH.Zr/c2*1-4-6-16-9-10-19(20-16)15-11-14-7-5-8-17(13(2)3)18(14)12-15;;;/h2*5,7-13H,4,6H2,1-3H3;2*1H;/q2*-1;;;+4/p-2