2,3-dimethylcyclopenta-1,3-diene; 2,2-dimethylpropanoic acid; titanium

Systemtic Name: 2,3-dimethylcyclopenta-1,3-diene; 2,2-dimethylpropanoic acid; titanium Openeye Name: 2,3-dimethylcyclopenta-1,3-diene; 2,2-dimethylpropanoic acid; titanium CAS Name: 2,3-dimethylcyclopenta-1,3-diene; 2,2-dimethylpropanoic acid; titanium IUPAC Name: 2,3-dimethylcyclopenta-1,3-diene; 2,2-dimethylpropanoic acid; titanium Traditional Name: 2,3-dimethylcyclopenta-1,3-diene; 2,2-dimethylpropionic acid; titanium Formula: C22H39O6Ti- MolecularWeight: 447.40846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[C-]=C1C.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.[Ti]

Isomeric SMILES

CC1=CC[C-]=C1C.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.[Ti]

InChI

InChI=1S/C7H9.3C5H10O2.Ti/c1-6-4-3-5-7(6)2;3*1-5(2,3)4(6)7;/h4H,3H2,1-2H3;3*1-3H3,(H,6,7);/q-1;;;;