4,7-dimethyl-1H-inden-1-ide; phosphane; propane; zirconium(3+); trichloride

Systemtic Name: 4,7-dimethyl-1H-inden-1-ide; phosphane; propane; zirconium(3+); trichloride Openeye Name: 4,7-dimethyl-1H-inden-1-ide; phosphane; propane; zirconium(3+); trichloride CAS Name: 4,7-dimethyl-1H-inden-1-ide; phosphine; propane; zirconium(3+); trichloride IUPAC Name: 4,7-dimethyl-1H-inden-1-ide; phosphane; propane; zirconium(3+); trichloride Traditional Name: 4,7-dimethyl-1H-inden-1-ide; phosphine; propane; zirconium(3+); trichloride Formula: C51H84Cl3P3Zr3-3 MolecularWeight: 1170.164943

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=C2[CH-]C=CC2=C(C=C1)C.P.P.P.[Cl-].[Cl-].[Cl-].[Zr+3].[Zr+3].[Zr+3]

Isomeric SMILES

C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=C2[CH-]C=CC2=C(C=C1)C.P.P.P.[Cl-].[Cl-].[Cl-].[Zr+3].[Zr+3].[Zr+3]

InChI

InChI=1S/3C11H11.6C3H7.3ClH.3H3P.3Zr/c3*1-8-6-7-9(2)11-5-3-4-10(8)11;6*1-3-2;;;;;;;;;/h3*3-7H,1-2H3;6*3H,1-2H3;3*1H;3*1H3;;;/q9*-1;;;;;;;3*+3/p-3