copper; 3,3-dimethylbut-1-yne; 2-ethanoylbenzoic acid; titanium(2+)

Systemtic Name: copper; 3,3-dimethylbut-1-yne; 2-ethanoylbenzoic acid; titanium(2+) Openeye Name: 2-acetylbenzoic acid; copper; 3,3-dimethylbut-1-yne; titanium(2+) CAS Name: 2-acetylbenzoic acid; copper; 3,3-dimethyl-1-butyne; titanium(2+) IUPAC Name: 2-acetylbenzoic acid; copper; 3,3-dimethylbut-1-yne; titanium(2+) Traditional Name: 2-acetylbenzoic acid; copper; 3,3-dimethylbut-1-yne; titanium(2+) Formula: C21H26CuO3Ti MolecularWeight: 437.84234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C(=O)O.CC(C)(C)C#[C-].CC(C)(C)C#[C-].[Ti+2].[Cu]

Isomeric SMILES

CC(=O)C1=CC=CC=C1C(=O)O.CC(C)(C)C#[C-].CC(C)(C)C#[C-].[Ti+2].[Cu]

InChI

InChI=1S/C9H8O3.2C6H9.Cu.Ti/c1-6(10)7-4-2-3-5-8(7)9(11)12;2*1-5-6(2,3)4;;/h2-5H,1H3,(H,11,12);2*2-4H3;;/q;2*-1;;+2