cyclopenta-1,3-diene; 2-naphthalen-2-ylcyclopenta[b]pyrrole; propan-2-ylidenezirconium; dichloride

Systemtic Name: cyclopenta-1,3-diene; 2-naphthalen-2-ylcyclopenta[b]pyrrole; propan-2-ylidenezirconium; dichloride Openeye Name: cyclopenta-1,3-diene; isopropylidenezirconium; 2-(2-naphthyl)cyclopenta[b]pyrrole; dichloride CAS Name: cyclopenta-1,3-diene; 2-(2-naphthalenyl)cyclopenta[b]pyrrole; propan-2-ylidenezirconium; dichloride IUPAC Name: cyclopenta-1,3-diene; 2-naphthalen-2-ylcyclopenta[b]pyrrole; propan-2-ylidenezirconium; dichloride Traditional Name: cyclopenta-1,3-diene; isopropylidenezirconium; 2-(2-naphthyl)cyclopenta[b]pyrrole; dichloride Formula: C25H22Cl2NZr-3 MolecularWeight: 498.57888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr])C.C1C=CC=[C-]1.C1=CC=C2C=C(C=CC2=C1)C3=NC4=CC=CC4=C3.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr])C.C1C=CC=[C-]1.C1=CC=C2C=C(C=CC2=C1)C3=NC4=CC=CC4=C3.[Cl-].[Cl-]

InChI

InChI=1S/C17H11N.C5H5.C3H6.2ClH.Zr/c1-2-5-13-10-15(9-8-12(13)4-1)17-11-14-6-3-7-16(14)18-17;1-2-4-5-3-1;1-3-2;;;/h1-11H;1-3H,4H2;1-2H3;2*1H;/q;-1;;;;/p-2