cyclopenta-1,3-diene; 2-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 2-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; isopropylidenezirconium(2+); 2-methyl-1H-inden-1-ide; dichloride CAS Name: cyclopenta-1,3-diene; 2-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 2-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; isopropylidenezirconium(2+); 2-methyl-1H-inden-1-ide; dichloride Formula: C36H40Cl2Zr2-2 MolecularWeight: 726.0568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC(=[Zr+2])C.CC(=[Zr+2])C.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC(=[Zr+2])C.CC(=[Zr+2])C.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-]

InChI

InChI=1S/2C10H9.2C5H5.2C3H6.2ClH.2Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;2*1-2-4-5-3-1;2*1-3-2;;;;/h2*2-7H,1H3;2*1-3H,4H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2