benzene; 1,2-di(phenyl)-1H-indene; methanol; titanium(3+); dichloride

Systemtic Name: benzene; 1,2-di(phenyl)-1H-indene; methanol; titanium(3+); dichloride Openeye Name: benzene; 1,2-di(phenyl)-1H-indene; methanol; titanium(3+); dichloride CAS Name: benzene; 1,2-di(phenyl)-1H-indene; methanol; titanium(3+); dichloride IUPAC Name: benzene; 1,2-di(phenyl)-1H-indene; methanol; titanium(3+); dichloride Traditional Name: benzene; 1,2-di(phenyl)-1H-indene; methanol; titanium(3+); dichloride Formula: C34H29Cl2OTi-2 MolecularWeight: 572.36646

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Descriptors Computed from Structure

Canonical SMILES:

CO.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=C(C=C1)C2=CC3=CC=CC=C3C2C4=CC=CC=[C-]4.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CO.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=C(C=C1)C2=CC3=CC=CC=C3C2C4=CC=CC=[C-]4.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C21H15.2C6H5.CH4O.2ClH.Ti/c1-3-9-16(10-4-1)20-15-18-13-7-8-14-19(18)21(20)17-11-5-2-6-12-17;2*1-2-4-6-5-3-1;1-2;;;/h1-11,13-15,21H;2*1-5H;2H,1H3;2*1H;/q3*-1;;;;+3/p-2