cyclopenta-1,3-diene; 2,3-dimethylphenol; methane; titanium(3+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 2,3-dimethylphenol; methane; titanium(3+); dichloride Openeye Name: cyclopenta-1,3-diene; 2,3-dimethylphenol; methane; titanium(3+); dichloride CAS Name: cyclopenta-1,3-diene; 2,3-dimethylphenol; methane; titanium(3+); dichloride IUPAC Name: cyclopenta-1,3-diene; 2,3-dimethylphenol; methane; titanium(3+); dichloride Traditional Name: cyclopenta-1,3-diene; methane; titanium(3+); 2,3-xylenol; dichloride Formula: C14H19Cl2OTi MolecularWeight: 322.07306

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Descriptors Computed from Structure

Canonical SMILES:

C.CC1=C(C(=CC=C1)O)C.[CH-]1C=CC=C1.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

C.CC1=C(C(=CC=C1)O)C.[CH-]1C=CC=C1.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C8H10O.C5H5.CH4.2ClH.Ti/c1-6-4-3-5-8(9)7(6)2;1-2-4-5-3-1;;;;/h3-5,9H,1-2H3;1-5H;1H4;2*1H;/q;-1;;;;+3/p-2