1-phenylethylidenezirconium(2+); 2-propan-2-ylcyclopenta-1,3-diene; 4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride

Systemtic Name: 1-phenylethylidenezirconium(2+); 2-propan-2-ylcyclopenta-1,3-diene; 4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride Openeye Name: 2-isopropylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); 4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride CAS Name: 1-phenylethylidenezirconium(2+); 2-propan-2-ylcyclopenta-1,3-diene; 4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride IUPAC Name: 1-phenylethylidenezirconium(2+); 2-propan-2-ylcyclopenta-1,3-diene; 4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride Traditional Name: 2-isopropylcyclopenta-1,3-diene; 1-phenylethylidenezirconium(2+); 4,5,6,7-tetrahydro-1H-inden-1-ide; dichloride Formula: C50H60Cl2Zr2-2 MolecularWeight: 914.3654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC[C-]=C1.CC(C)C1=CC[C-]=C1.CC(=[Zr+2])C1=CC=CC=C1.CC(=[Zr+2])C1=CC=CC=C1.C1CCC2=C(C1)[CH-]C=C2.C1CCC2=C(C1)[CH-]C=C2.[Cl-].[Cl-]

Isomeric SMILES

CC(C)C1=CC[C-]=C1.CC(C)C1=CC[C-]=C1.CC(=[Zr+2])C1=CC=CC=C1.CC(=[Zr+2])C1=CC=CC=C1.C1CCC2=C(C1)[CH-]C=C2.C1CCC2=C(C1)[CH-]C=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C9H11.2C8H11.2C8H8.2ClH.2Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-7(2)8-5-3-4-6-8;2*1-2-8-6-4-3-5-7-8;;;;/h2*3,6-7H,1-2,4-5H2;2*5-7H,3H2,1-2H3;2*3-7H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2