di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane; 1H-inden-1-id-2-yl(dimethyl)phosphane; zirconium(2+); dichloride

Systemtic Name: di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane; 1H-inden-1-id-2-yl(dimethyl)phosphane; zirconium(2+); dichloride Openeye Name: 1H-inden-1-id-2-yl(dimethyl)phosphane; 1H-inden-1-id-2-yl(disec-butyl)phosphane; zirconium(2+); dichloride CAS Name: di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphine; 1H-inden-1-id-2-yl(dimethyl)phosphine; zirconium(2+); dichloride IUPAC Name: di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane; 1H-inden-1-id-2-yl(dimethyl)phosphane; zirconium(2+); dichloride Traditional Name: 1H-inden-1-id-2-yl(dimethyl)phosphine; 1H-inden-1-id-2-yl(disec-butyl)phosphine; zirconium(2+); dichloride Formula: C56H72Cl2P4Zr2-2 MolecularWeight: 1122.419924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)P(C1=CC2=CC=CC=C2[CH-]1)C(C)CC.CCC(C)P(C1=CC2=CC=CC=C2[CH-]1)C(C)CC.CP(C)C1=CC2=CC=CC=C2[CH-]1.CP(C)C1=CC2=CC=CC=C2[CH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCC(C)P(C1=CC2=CC=CC=C2[CH-]1)C(C)CC.CCC(C)P(C1=CC2=CC=CC=C2[CH-]1)C(C)CC.CP(C)C1=CC2=CC=CC=C2[CH-]1.CP(C)C1=CC2=CC=CC=C2[CH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C17H24P.2C11H12P.2ClH.2Zr/c2*1-5-13(3)18(14(4)6-2)17-11-15-9-7-8-10-16(15)12-17;2*1-12(2)11-7-9-5-3-4-6-10(9)8-11;;;;/h2*7-14H,5-6H2,1-4H3;2*3-8H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2