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

Systemtic Name: dibutyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane; zirconium(2+); dichloride Openeye Name: dibutyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane; zirconium(2+); dichloride CAS Name: dibutyl-(4-phenyl-1H-inden-1-id-2-yl)phosphine; zirconium(2+); dichloride IUPAC Name: dibutyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane; zirconium(2+); dichloride Traditional Name: dibutyl-(4-phenyl-1H-inden-1-id-2-yl)phosphine; zirconium(2+); dichloride Formula: C92H112Cl2P4Zr2-2 MolecularWeight: 1595.122724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCP(CCCC)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCCCP(CCCC)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCCCP(CCCC)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCCCP(CCCC)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCCP(CCCC)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCCCP(CCCC)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCCCP(CCCC)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCCCP(CCCC)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C23H28P.2ClH.2Zr/c4*1-3-5-15-24(16-6-4-2)21-17-20-13-10-14-22(23(20)18-21)19-11-8-7-9-12-19;;;;/h4*7-14,17-18H,3-6,15-16H2,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2