carbanide; cyclopenta-1,3-diene; 9H-fluoren-9-ide; phenylmethanone; zirconium(4+); dichloride

Systemtic Name: carbanide; cyclopenta-1,3-diene; 9H-fluoren-9-ide; phenylmethanone; zirconium(4+); dichloride Openeye Name: carbanide; cyclopenta-1,3-diene; 9H-fluoren-9-ide; phenylmethanone; zirconium(4+); dichloride CAS Name: carbanide; cyclopenta-1,3-diene; 9H-fluoren-9-ide; phenylmethanone; zirconium(4+); dichloride IUPAC Name: carbanide; cyclopenta-1,3-diene; 9H-fluoren-9-ide; phenylmethanone; zirconium(4+); dichloride Traditional Name: carbanide; cyclopenta-1,3-diene; 9H-fluoren-9-ide; phenylmethanone; zirconium(4+); dichloride Formula: C52H44Cl2O2Zr2-2 MolecularWeight: 954.25856

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)[C-]=O.C1=CC=C(C=C1)[C-]=O.[Cl-].[Cl-].[Zr+4].[Zr+4]

Isomeric SMILES

[CH3-].[CH3-].C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)[C-]=O.C1=CC=C(C=C1)[C-]=O.[Cl-].[Cl-].[Zr+4].[Zr+4]

InChI

InChI=1S/2C13H9.2C7H5O.2C5H5.2CH3.2ClH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*8-6-7-4-2-1-3-5-7;2*1-2-4-5-3-1;;;;;;/h2*1-9H;2*1-5H;2*1-3H,4H2;2*1H3;2*1H;;/q8*-1;;;2*+4/p-2