ethanolate; (Z)-4-oxidanylidenepent-2-en-2-olate; (E)-4-oxidanylidenepent-2-en-2-olate; titanium(4+)

Systemtic Name: ethanolate; (Z)-4-oxidanylidenepent-2-en-2-olate; (E)-4-oxidanylidenepent-2-en-2-olate; titanium(4+) Openeye Name: ethanolate; (Z)-4-oxopent-2-en-2-olate; (E)-4-oxopent-2-en-2-olate; titanium(4+) CAS Name: ethanolate; (Z)-4-oxo-2-penten-2-olate; (E)-4-oxo-2-penten-2-olate; titanium(4+) IUPAC Name: ethanolate; (Z)-4-oxopent-2-en-2-olate; (E)-4-oxopent-2-en-2-olate; titanium(4+) Traditional Name: ethanolate; (Z)-4-ketopent-2-en-2-olate; (E)-4-ketopent-2-en-2-olate; titanium(4+) Formula: C14H24O6Ti MolecularWeight: 336.20376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[O-].CC[O-].C/C(=C\C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ti+4]

InChI

InChI=1S/2C5H8O2.2C2H5O.Ti/c2*1-4(6)3-5(2)7;2*1-2-3;/h2*3,6H,1-2H3;2*2H2,1H3;/q;;2*-1;+4/p-2/b4-3+;4-3-;;;