4,7-dimethyl-1H-inden-1-ide; 1H-inden-1-id-2-yl(diphenyl)phosphane; zirconium(2+); dichloride

Systemtic Name: 4,7-dimethyl-1H-inden-1-ide; 1H-inden-1-id-2-yl(diphenyl)phosphane; zirconium(2+); dichloride Openeye Name: 4,7-dimethyl-1H-inden-1-ide; 1H-inden-1-id-2-yl(diphenyl)phosphane; zirconium(2+); dichloride CAS Name: 4,7-dimethyl-1H-inden-1-ide; 1H-inden-1-id-2-yl(diphenyl)phosphine; zirconium(2+); dichloride IUPAC Name: 4,7-dimethyl-1H-inden-1-ide; 1H-inden-1-id-2-yl(diphenyl)phosphane; zirconium(2+); dichloride Traditional Name: 4,7-dimethyl-1H-inden-1-ide; 1H-inden-1-id-2-yl(diphenyl)phosphine; zirconium(2+); dichloride Formula: C64H54Cl2P2Zr2-2 MolecularWeight: 1138.415082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=C2[CH-]C=CC2=C(C=C1)C.[CH-]1C2=CC=CC=C2C=C1P(C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C2=CC=CC=C2C=C1P(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=C2[CH-]C=CC2=C(C=C1)C.[CH-]1C2=CC=CC=C2C=C1P(C3=CC=CC=C3)C4=CC=CC=C4.[CH-]1C2=CC=CC=C2C=C1P(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C21H16P.2C11H11.2ClH.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*1-8-6-7-9(2)11-5-3-4-10(8)11;;;;/h2*1-16H;2*3-7H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2