cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; 2,6-dimethoxyphenolate

Systemtic Name: cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; 2,6-dimethoxyphenolate Openeye Name: cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; 2,6-dimethoxyphenolate CAS Name: cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; 2,6-dimethoxyphenolate IUPAC Name: cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; 2,6-dimethoxyphenolate Traditional Name: cyclohexylidenezirconium(2+); cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; 2,6-dimethoxyphenolate Formula: C64H66O6Zr2-2 MolecularWeight: 1113.65324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].C1CCC(=[Zr+2])CC1.C1CCC(=[Zr+2])CC1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3

InChI

InChI=1S/2C13H9.2C8H10O3.2C6H10.2C5H5.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-10-6-4-3-5-7(11-2)8(6)9;2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;;/h2*1-5,7-8H,9H2;2*3-5,9H,1-2H3;2*1-5H2;2*1-3H,4H2;;/q2*-1;;;;;2*-1;2*+2/p-2