cyclopenta-1,3-diene; 9H-fluoren-9-ide; 1-phenylethylidenetitanium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; 1-phenylethylidenetitanium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; 1-phenylethylidenetitanium(2+); dichloride CAS Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; 1-phenylethylidenetitanium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; 1-phenylethylidenetitanium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; 1-phenylethylidenetitanium(2+); dichloride Formula: C52H44Cl2Ti2-2 MolecularWeight: 835.54576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Ti+2])C1=CC=CC=C1.CC(=[Ti+2])C1=CC=CC=C1.C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Ti+2])C1=CC=CC=C1.CC(=[Ti+2])C1=CC=CC=C1.C1C=CC=[C-]1.C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-]

InChI

InChI=1S/2C13H9.2C8H8.2C5H5.2ClH.2Ti/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-8-6-4-3-5-7-8;2*1-2-4-5-3-1;;;;/h2*1-9H;2*3-7H,1H3;2*1-3H,4H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2