dicyclohexyl(1H-inden-1-id-2-yl)phosphane; 2-pentan-2-ylcyclopenta-1,3-diene; zirconium(2+); dichloride

Systemtic Name: dicyclohexyl(1H-inden-1-id-2-yl)phosphane; 2-pentan-2-ylcyclopenta-1,3-diene; zirconium(2+); dichloride Openeye Name: dicyclohexyl(1H-inden-1-id-2-yl)phosphane; 2-(1-methylbutyl)cyclopenta-1,3-diene; zirconium(2+); dichloride CAS Name: dicyclohexyl(1H-inden-1-id-2-yl)phosphine; 2-pentan-2-ylcyclopenta-1,3-diene; zirconium(2+); dichloride IUPAC Name: dicyclohexyl(1H-inden-1-id-2-yl)phosphane; 2-pentan-2-ylcyclopenta-1,3-diene; zirconium(2+); dichloride Traditional Name: dicyclohexyl(1H-inden-1-id-2-yl)phosphine; 2-(1-methylbutyl)cyclopenta-1,3-diene; zirconium(2+); dichloride Formula: C62H86Cl2P2Zr2-2 MolecularWeight: 1146.647762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=[C-]CC=C1.CCCC(C)C1=[C-]CC=C1.C1CCC(CC1)P(C2CCCCC2)C3=CC4=CC=CC=C4[CH-]3.C1CCC(CC1)P(C2CCCCC2)C3=CC4=CC=CC=C4[CH-]3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCC(C)C1=[C-]CC=C1.CCCC(C)C1=[C-]CC=C1.C1CCC(CC1)P(C2CCCCC2)C3=CC4=CC=CC=C4[CH-]3.C1CCC(CC1)P(C2CCCCC2)C3=CC4=CC=CC=C4[CH-]3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C21H28P.2C10H15.2ClH.2Zr/c2*1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;2*1-3-6-9(2)10-7-4-5-8-10;;;;/h2*7-10,15-16,19-20H,1-6,11-14H2;2*4,7,9H,3,5-6H2,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2