cyclopenta-1,3-diene; 4-methoxy-1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 4-methoxy-1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; isopropylidenezirconium(2+); 4-methoxy-1,9-dihydrofluoren-1-ide; dichloride CAS Name: cyclopenta-1,3-diene; 4-methoxy-1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 4-methoxy-1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; isopropylidenezirconium(2+); 4-methoxy-1,9-dihydrofluoren-1-ide; dichloride Formula: C44H44Cl2O2Zr2-2 MolecularWeight: 858.17296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(=[Zr+2])C.COC1=CC=[C-]C2=C1C3=CC=CC=C3C2.COC1=CC=[C-]C2=C1C3=CC=CC=C3C2.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(=[Zr+2])C.COC1=CC=[C-]C2=C1C3=CC=CC=C3C2.COC1=CC=[C-]C2=C1C3=CC=CC=C3C2.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-]

InChI

InChI=1S/2C14H11O.2C5H5.2C3H6.2ClH.2Zr/c2*1-15-13-8-4-6-11-9-10-5-2-3-7-12(10)14(11)13;2*1-2-4-5-3-1;2*1-3-2;;;;/h2*2-5,7-8H,9H2,1H3;2*1-3H,4H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2