dihexyl(1H-inden-1-id-2-yl)phosphane; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: dihexyl(1H-inden-1-id-2-yl)phosphane; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: dihexyl(1H-inden-1-id-2-yl)phosphane; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: dihexyl(1H-inden-1-id-2-yl)phosphine; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: dihexyl(1H-inden-1-id-2-yl)phosphane; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: dihexyl(1H-inden-1-id-2-yl)phosphine; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C74H90Cl2P2Zr2-2 MolecularWeight: 1294.807922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCP(CCCCCC)C1=CC2=CC=CC=C2[CH-]1.CCCCCCP(CCCCCC)C1=CC2=CC=CC=C2[CH-]1.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCCCCP(CCCCCC)C1=CC2=CC=CC=C2[CH-]1.CCCCCCP(CCCCCC)C1=CC2=CC=CC=C2[CH-]1.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C21H32P.2C16H13.2ClH.2Zr/c2*1-3-5-7-11-15-22(16-12-8-6-4-2)21-17-19-13-9-10-14-20(19)18-21;2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;;/h2*9-10,13-14,17-18H,3-8,11-12,15-16H2,1-2H3;2*2-11H,1H3;2*1H;;/q4*-1;;;2*+2/p-2