(diphenylmethylidene)titanium(2+); 2,3,5-trimethyl-1H-inden-1-ide; dichloride

Systemtic Name: (diphenylmethylidene)titanium(2+); 2,3,5-trimethyl-1H-inden-1-ide; dichloride Openeye Name: benzhydrylidenetitanium(2+); 2,3,5-trimethyl-1H-inden-1-ide; dichloride CAS Name: (diphenylmethylene)titanium(2+); 2,3,5-trimethyl-1H-inden-1-ide; dichloride IUPAC Name: benzhydrylidenetitanium(2+); 2,3,5-trimethyl-1H-inden-1-ide; dichloride Traditional Name: benzhydrylidenetitanium(2+); 2,3,5-trimethyl-1H-inden-1-ide; dichloride Formula: C74H72Cl2Ti2-2 MolecularWeight: 1128.00348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC(=C2)C)C.CC1=C(C2=C([CH-]1)C=CC(=C2)C)C.CC1=C(C2=C([CH-]1)C=CC(=C2)C)C.CC1=C(C2=C([CH-]1)C=CC(=C2)C)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=C(C2=C([CH-]1)C=CC(=C2)C)C.CC1=C(C2=C([CH-]1)C=CC(=C2)C)C.CC1=C(C2=C([CH-]1)C=CC(=C2)C)C.CC1=C(C2=C([CH-]1)C=CC(=C2)C)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/2C13H10.4C12H13.2ClH.2Ti/c2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;4*1-8-4-5-11-7-9(2)10(3)12(11)6-8;;;;/h2*1-10H;4*4-7H,1-3H3;2*1H;;/q;;4*-1;;;2*+2/p-2