cyclopenta-1,3-diene; N,N-dimethyl-1,9-dihydrofluoren-1-id-2-amine; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; N,N-dimethyl-1,9-dihydrofluoren-1-id-2-amine; propan-2-ylidenezirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; N,N-dimethyl-1,9-dihydrofluoren-1-id-2-amine; isopropylidenezirconium(2+); dichloride CAS Name: cyclopenta-1,3-diene; N,N-dimethyl-1,9-dihydrofluoren-1-id-2-amine; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; N,N-dimethyl-1,9-dihydrofluoren-1-id-2-amine; propan-2-ylidenezirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-id-2-yl(dimethyl)amine; isopropylidenezirconium(2+); dichloride Formula: C46H50Cl2N2Zr2-2 MolecularWeight: 884.2566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(=[Zr+2])C.CN(C)C1=CC=C2C(=[C-]1)CC3=CC=CC=C32.CN(C)C1=CC=C2C(=[C-]1)CC3=CC=CC=C32.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(=[Zr+2])C.CN(C)C1=CC=C2C(=[C-]1)CC3=CC=CC=C32.CN(C)C1=CC=C2C(=[C-]1)CC3=CC=CC=C32.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-]

InChI

InChI=1S/2C15H14N.2C5H5.2C3H6.2ClH.2Zr/c2*1-16(2)13-7-8-15-12(10-13)9-11-5-3-4-6-14(11)15;2*1-2-4-5-3-1;2*1-3-2;;;;/h2*3-8H,9H2,1-2H3;2*1-3H,4H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2