2-(2,2-dimethylpropanoyl)-3-oxidanylidene-inden-1-olate; ethanolate; titanium(4+)

Systemtic Name: 2-(2,2-dimethylpropanoyl)-3-oxidanylidene-inden-1-olate; ethanolate; titanium(4+) Openeye Name: 2-(2,2-dimethylpropanoyl)-3-oxo-inden-1-olate; ethanolate; titanium(4+) CAS Name: 2-(2,2-dimethyl-1-oxopropyl)-3-oxo-1-indenolate; ethanolate; titanium(4+) IUPAC Name: 2-(2,2-dimethylpropanoyl)-3-oxoinden-1-olate; ethanolate; titanium(4+) Traditional Name: ethanolate; 3-keto-2-pivaloyl-inden-1-olate; titanium(4+) Formula: C32H36O8Ti MolecularWeight: 596.49044

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Descriptors Computed from Structure

Canonical SMILES:

CC[O-].CC[O-].CC(C)(C)C(=O)C1=C(C2=CC=CC=C2C1=O)[O-].CC(C)(C)C(=O)C1=C(C2=CC=CC=C2C1=O)[O-].[Ti+4]

Isomeric SMILES

CC[O-].CC[O-].CC(C)(C)C(=O)C1=C(C2=CC=CC=C2C1=O)[O-].CC(C)(C)C(=O)C1=C(C2=CC=CC=C2C1=O)[O-].[Ti+4]

InChI

InChI=1S/2C14H14O3.2C2H5O.Ti/c2*1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16;2*1-2-3;/h2*4-7,15H,1-3H3;2*2H2,1H3;/q;;2*-1;+4/p-2