cyclopenta-1,3-diene; 2,5-dimethylphenolate; titanium(4+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 2,5-dimethylphenolate; titanium(4+); dichloride Openeye Name: cyclopenta-1,3-diene; 2,5-dimethylphenolate; titanium(4+); dichloride CAS Name: cyclopenta-1,3-diene; 2,5-dimethylphenolate; titanium(4+); dichloride IUPAC Name: cyclopenta-1,3-diene; 2,5-dimethylphenolate; titanium(4+); dichloride Traditional Name: cyclopenta-1,3-diene; 2,5-dimethylphenolate; titanium(4+); dichloride Formula: C13H14Cl2OTi MolecularWeight: 305.02266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)[O-].C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CC1=CC(=C(C=C1)C)[O-].C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C8H10O.C5H5.2ClH.Ti/c1-6-3-4-7(2)8(9)5-6;1-2-4-5-3-1;;;/h3-5,9H,1-2H3;1-3H,4H2;2*1H;/q;-1;;;+4/p-3