2,5-dimethyl-1H-inden-1-ide; (diphenylmethylidene)titanium(2+); dichloride

Systemtic Name: 2,5-dimethyl-1H-inden-1-ide; (diphenylmethylidene)titanium(2+); dichloride Openeye Name: benzhydrylidenetitanium(2+); 2,5-dimethyl-1H-inden-1-ide; dichloride CAS Name: 2,5-dimethyl-1H-inden-1-ide; (diphenylmethylene)titanium(2+); dichloride IUPAC Name: benzhydrylidenetitanium(2+); 2,5-dimethyl-1H-inden-1-ide; dichloride Traditional Name: benzhydrylidenetitanium(2+); 2,5-dimethyl-1H-inden-1-ide; dichloride Formula: C70H64Cl2Ti2-2 MolecularWeight: 1071.89716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC(=C2)C.CC1=CC2=C([CH-]1)C=CC(=C2)C.CC1=CC2=C([CH-]1)C=CC(=C2)C.CC1=CC2=C([CH-]1)C=CC(=C2)C.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=CC2=C([CH-]1)C=CC(=C2)C.CC1=CC2=C([CH-]1)C=CC(=C2)C.CC1=CC2=C([CH-]1)C=CC(=C2)C.CC1=CC2=C([CH-]1)C=CC(=C2)C.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/2C13H10.4C11H11.2ClH.2Ti/c2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;4*1-8-3-4-10-6-9(2)7-11(10)5-8;;;;/h2*1-10H;4*3-7H,1-2H3;2*1H;;/q;;4*-1;;;2*+2/p-2