1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; (diphenylmethylidene)titanium(1+); dichloride

Systemtic Name: 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; (diphenylmethylidene)titanium(1+); dichloride Openeye Name: benzhydrylidenetitanium(1+); 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; dichloride CAS Name: 1-(1-cyclopenta-1,3-dienyl)-9H-fluoren-9-ide; (diphenylmethylene)titanium(1+); dichloride IUPAC Name: benzhydrylidenetitanium(1+); 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; dichloride Traditional Name: benzhydrylidenetitanium(1+); 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; dichloride Formula: C62H46Cl2Ti2-2 MolecularWeight: 957.66864

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.C1=CC=C(C=C1)C(=[Ti+])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Ti+])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.C1=CC=C(C=C1)C(=[Ti+])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Ti+])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C18H13.2C13H10.2ClH.2Ti/c2*1-2-7-13(6-1)15-10-5-11-17-16-9-4-3-8-14(16)12-18(15)17;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;/h2*1-6,8-12H,7H2;2*1-10H;2*1H;;/q2*-1;;;;;2*+1/p-2