(diphenylmethylidene)titanium(2+); 3-methyl-4-phenyl-1H-inden-1-ide; dichloride

Systemtic Name: (diphenylmethylidene)titanium(2+); 3-methyl-4-phenyl-1H-inden-1-ide; dichloride Openeye Name: benzhydrylidenetitanium(2+); 3-methyl-4-phenyl-1H-inden-1-ide; dichloride CAS Name: (diphenylmethylene)titanium(2+); 3-methyl-4-phenyl-1H-inden-1-ide; dichloride IUPAC Name: benzhydrylidenetitanium(2+); 3-methyl-4-phenyl-1H-inden-1-ide; dichloride Traditional Name: benzhydrylidenetitanium(2+); 3-methyl-4-phenyl-1H-inden-1-ide; dichloride Formula: C90H72Cl2Ti2-2 MolecularWeight: 1320.17468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C(=[Ti+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Ti+2])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.CC1=C[CH-]C2=C1C(=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C(=[Ti+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Ti+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/4C16H13.2C13H10.2ClH.2Ti/c4*1-12-10-11-14-8-5-9-15(16(12)14)13-6-3-2-4-7-13;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;/h4*2-11H,1H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2