cyclopenta-1,3-diene; 2-methoxy-1,9-dihydrofluoren-1-ide; propane; zirconium(3+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 2-methoxy-1,9-dihydrofluoren-1-ide; propane; zirconium(3+); dichloride Openeye Name: cyclopenta-1,3-diene; 2-methoxy-1,9-dihydrofluoren-1-ide; propane; zirconium(3+); dichloride CAS Name: cyclopenta-1,3-diene; 2-methoxy-1,9-dihydrofluoren-1-ide; propane; zirconium(3+); dichloride IUPAC Name: cyclopenta-1,3-diene; 2-methoxy-1,9-dihydrofluoren-1-ide; propane; zirconium(3+); dichloride Traditional Name: cyclopenta-1,3-diene; 2-methoxy-1,9-dihydrofluoren-1-ide; propane; zirconium(3+); dichloride Formula: C44H46Cl2O2Zr2-2 MolecularWeight: 860.18884

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.C[CH-]C.COC1=CC=C2C(=[C-]1)CC3=CC=CC=C32.COC1=CC=C2C(=[C-]1)CC3=CC=CC=C32.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+3].[Zr+3]

Isomeric SMILES

C[CH-]C.C[CH-]C.COC1=CC=C2C(=[C-]1)CC3=CC=CC=C32.COC1=CC=C2C(=[C-]1)CC3=CC=CC=C32.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+3].[Zr+3]

InChI

InChI=1S/2C14H11O.2C5H5.2C3H7.2ClH.2Zr/c2*1-15-12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)14;2*1-2-4-5-3-1;2*1-3-2;;;;/h2*2-7H,8H2,1H3;2*1-3H,4H2;2*3H,1-2H3;2*1H;;/q6*-1;;;2*+3/p-2