4,5,6,7-tetramethyl-2-propyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 4,5,6,7-tetramethyl-2-propyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 4,5,6,7-tetramethyl-2-propyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 4,5,6,7-tetramethyl-2-propyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 4,5,6,7-tetramethyl-2-propyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 4,5,6,7-tetramethyl-2-propyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C64H84Cl2Zr2-2 MolecularWeight: 1106.70576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.CCCC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.CCCC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.CCCC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.CCCC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.CCCC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.CCCC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C16H21.2ClH.2Zr/c4*1-6-7-14-8-15-12(4)10(2)11(3)13(5)16(15)9-14;;;;/h4*8-9H,6-7H2,1-5H3;2*1H;;/q4*-1;;;2*+2/p-2