ethanolate; 2-ethanoyl-3H-inden-1-olate; titanium(4+)

Systemtic Name: ethanolate; 2-ethanoyl-3H-inden-1-olate; titanium(4+) Openeye Name: 2-acetyl-3H-inden-1-olate; ethanolate; titanium(4+) CAS Name: 2-acetyl-3H-inden-1-olate; ethanolate; titanium(4+) IUPAC Name: 2-acetyl-3H-inden-1-olate; ethanolate; titanium(4+) Traditional Name: 2-acetyl-3H-inden-1-olate; ethanolate; titanium(4+) Formula: C26H28O6Ti MolecularWeight: 484.36392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H10O2.2C2H5O.Ti/c2*1-7(12)10-6-8-4-2-3-5-9(8)11(10)13;2*1-2-3;/h2*2-5,13H,6H2,1H3;2*2H2,1H3;/q;;2*-1;+4/p-2