dimethyl(2-phenylethyl)phosphane; 1H-inden-1-ide; titanium(2+); trichloride

Systemtic Name: dimethyl(2-phenylethyl)phosphane; 1H-inden-1-ide; titanium(2+); trichloride Openeye Name: dimethyl(2-phenylethyl)phosphane; 1H-inden-1-ide; titanium(2+); trichloride CAS Name: dimethyl(2-phenylethyl)phosphine; 1H-inden-1-ide; titanium(2+); trichloride IUPAC Name: dimethyl(2-phenylethyl)phosphane; 1H-inden-1-ide; titanium(2+); trichloride Traditional Name: dimethyl(2-phenylethyl)phosphine; 1H-inden-1-ide; titanium(2+); trichloride Formula: C57H63Cl3P3Ti3-3 MolecularWeight: 1090.991403

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Descriptors Computed from Structure

Canonical SMILES:

CP(C)C[CH-]C1=CC=CC=C1.CP(C)C[CH-]C1=CC=CC=C1.CP(C)C[CH-]C1=CC=CC=C1.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

CP(C)C[CH-]C1=CC=CC=C1.CP(C)C[CH-]C1=CC=CC=C1.CP(C)C[CH-]C1=CC=CC=C1.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2]

InChI

InChI=1S/3C10H14P.3C9H7.3ClH.3Ti/c3*1-11(2)9-8-10-6-4-3-5-7-10;3*1-2-5-9-7-3-6-8(9)4-1;;;;;;/h3*3-8H,9H2,1-2H3;3*1-7H;3*1H;;;/q6*-1;;;;3*+2/p-3