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

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

Systemtic Name:ethanolate; 2-ethanoyl-3-oxidanylidene-inden-1-olate; titanium(4+)
Openeye Name:2-acetyl-3-oxo-inden-1-olate; ethanolate; titanium(4+)
CAS Name:2-acetyl-3-oxo-1-indenolate; ethanolate; titanium(4+)
IUPAC Name:2-acetyl-3-oxoinden-1-olate; ethanolate; titanium(4+)
Traditional Name:2-acetyl-3-keto-inden-1-olate; ethanolate; titanium(4+)
Formula: C26H24O8Ti
MolecularWeight: 512.33096
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C11H8O3.2C2H5O.Ti/c2*1-6(12)9-10(13)7-4-2-3-5-8(7)11(9)14;2*1-2-3;/h2*2-5,13H,1H3;2*2H2,1H3;/q;;2*-1;+4/p-2


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