cyclohexylidenezirconium; 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; dichloride

Systemtic Name: cyclohexylidenezirconium; 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; dichloride Openeye Name: cyclohexylidenezirconium; 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; dichloride CAS Name: cyclohexylidenezirconium; 2-(1-cyclopenta-1,3-dienyl)-1,9-dihydrofluoren-1-ide; dichloride IUPAC Name: cyclohexylidenezirconium; 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; dichloride Traditional Name: cyclohexylidenezirconium; 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; dichloride Formula: C48H46Cl2Zr2-4 MolecularWeight: 876.23284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[Zr])CC1.C1CCC(=[Zr])CC1.C1C=CC=C1C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.C1C=CC=C1C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.[Cl-].[Cl-]

Isomeric SMILES

C1CCC(=[Zr])CC1.C1CCC(=[Zr])CC1.C1C=CC=C1C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.C1C=CC=C1C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.[Cl-].[Cl-]

InChI

InChI=1S/2C18H13.2C6H10.2ClH.2Zr/c2*1-2-6-13(5-1)14-9-10-18-16(11-14)12-15-7-3-4-8-17(15)18;2*1-2-4-6-5-3-1;;;;/h2*1-5,7-10H,6,12H2;2*1-5H2;2*1H;;/q2*-1;;;;;;/p-2