1-(3,4-dimethoxyphenyl)butane-1,3-dione; ethanolate; titanium(4+)

Systemtic Name: 1-(3,4-dimethoxyphenyl)butane-1,3-dione; ethanolate; titanium(4+) Openeye Name: 1-(3,4-dimethoxyphenyl)butane-1,3-dione; ethanolate; titanium(4+) CAS Name: 1-(3,4-dimethoxyphenyl)butane-1,3-dione; ethanolate; titanium(4+) IUPAC Name: 1-(3,4-dimethoxyphenyl)butane-1,3-dione; ethanolate; titanium(4+) Traditional Name: 1-(3,4-dimethoxyphenyl)butane-1,3-dione; ethanolate; titanium(4+) Formula: C28H36O10Ti MolecularWeight: 580.44644

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Descriptors Computed from Structure

Canonical SMILES:

CC[O-].CC[O-].CC(=O)[CH-]C(=O)C1=CC(=C(C=C1)OC)OC.CC(=O)[CH-]C(=O)C1=CC(=C(C=C1)OC)OC.[Ti+4]

Isomeric SMILES

CC[O-].CC[O-].CC(=O)[CH-]C(=O)C1=CC(=C(C=C1)OC)OC.CC(=O)[CH-]C(=O)C1=CC(=C(C=C1)OC)OC.[Ti+4]

InChI

InChI=1S/2C12H13O4.2C2H5O.Ti/c2*1-8(13)6-10(14)9-4-5-11(15-2)12(7-9)16-3;2*1-2-3;/h2*4-7H,1-3H3;2*2H2,1H3;/q4*-1;+4