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

Systemtic Name: 2,2-dimethylpropanoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene Openeye Name: 2,2-dimethylpropanoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene CAS Name: 2,2-dimethylpropanoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene IUPAC Name: 2,2-dimethylpropanoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene Traditional Name: 2,2-dimethylpropionic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene Formula: C23H41O6Ti- MolecularWeight: 461.43504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[C-]C1)C)C.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.[Ti]

Isomeric SMILES

CC1=C(C(=[C-]C1)C)C.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.[Ti]

InChI

InChI=1S/C8H11.3C5H10O2.Ti/c1-6-4-5-7(2)8(6)3;3*1-5(2,3)4(6)7;/h4H2,1-3H3;3*1-3H3,(H,6,7);/q-1;;;;