cyclopenta-1,3-diene; 1H-inden-1-id-2-yl(dipropyl)phosphane; zirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 1H-inden-1-id-2-yl(dipropyl)phosphane; zirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; 1H-inden-1-id-2-yl(dipropyl)phosphane; zirconium(2+); dichloride CAS Name: cyclopenta-1,3-diene; 1H-inden-1-id-2-yl(dipropyl)phosphine; zirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 1H-inden-1-id-2-yl(dipropyl)phosphane; zirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 1H-inden-1-id-2-yl(dipropyl)phosphine; zirconium(2+); dichloride Formula: C40H50Cl2P2Zr2-2 MolecularWeight: 846.126522

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Descriptors Computed from Structure

Canonical SMILES:

CCCP(CCC)C1=CC2=CC=CC=C2[CH-]1.CCCP(CCC)C1=CC2=CC=CC=C2[CH-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCP(CCC)C1=CC2=CC=CC=C2[CH-]1.CCCP(CCC)C1=CC2=CC=CC=C2[CH-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C15H20P.2C5H5.2ClH.2Zr/c2*1-3-9-16(10-4-2)15-11-13-7-5-6-8-14(13)12-15;2*1-2-4-5-3-1;;;;/h2*5-8,11-12H,3-4,9-10H2,1-2H3;2*1-3H,4H2;2*1H;;/q4*-1;;;2*+2/p-2