2-tert-butylcyclopenta-1,3-diene; 5-methyl-10H-indeno[1,2-b]indol-10-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 5-methyl-10H-indeno[1,2-b]indol-10-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 2-tert-butylcyclopenta-1,3-diene; isopropylidenezirconium(2+); 5-methyl-10H-indeno[1,2-b]indol-10-ide; dichloride CAS Name: 2-tert-butylcyclopenta-1,3-diene; 5-methyl-10H-indeno[1,2-b]indol-10-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 5-methyl-10H-indeno[1,2-b]indol-10-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 2-tert-butylcyclopenta-1,3-diene; isopropylidenezirconium(2+); 5-methyl-10H-inden[1,2-b]indol-10-ide; dichloride Formula: C28H31Cl2NZr-2 MolecularWeight: 543.68244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(C)(C)C1=CC[C-]=C1.CN1C2=CC=CC=C2C3=C1C4=CC=CC=C4[CH-]3.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(C)(C)C1=CC[C-]=C1.CN1C2=CC=CC=C2C3=C1C4=CC=CC=C4[CH-]3.[Cl-].[Cl-]

InChI

InChI=1S/C16H12N.C9H13.C3H6.2ClH.Zr/c1-17-15-9-5-4-8-13(15)14-10-11-6-2-3-7-12(11)16(14)17;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2-10H,1H3;6-7H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2