cyclopenta-1,3-diene; 1H-inden-1-ide; phenylmethanone; zirconium(4+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 1H-inden-1-ide; phenylmethanone; zirconium(4+); dichloride Openeye Name: cyclopenta-1,3-diene; 1H-inden-1-ide; phenylmethanone; zirconium(4+); dichloride CAS Name: cyclopenta-1,3-diene; 1H-inden-1-ide; phenylmethanone; zirconium(4+); dichloride IUPAC Name: cyclopenta-1,3-diene; 1H-inden-1-ide; phenylmethanone; zirconium(4+); dichloride Traditional Name: cyclopenta-1,3-diene; 1H-inden-1-ide; phenylmethanone; zirconium(4+); dichloride Formula: C28H22Cl2O2Zr-2 MolecularWeight: 552.60308

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.[CH-]1C=CC2=CC=CC=C21.C1=CC=C(C=C1)[C-]=O.C1=CC=C(C=C1)[C-]=O.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

C1C=CC=[C-]1.[CH-]1C=CC2=CC=CC=C21.C1=CC=C(C=C1)[C-]=O.C1=CC=C(C=C1)[C-]=O.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C9H7.2C7H5O.C5H5.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;2*8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;;;/h1-7H;2*1-5H;1-3H,4H2;2*1H;/q4*-1;;;+4/p-2