(E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; propane-1,3-diolate; titanium(4+)

Systemtic Name: (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; propane-1,3-diolate; titanium(4+) Openeye Name: (E)-1-ethoxy-3-oxo-but-1-en-1-olate; propane-1,3-diolate; titanium(4+) CAS Name: (E)-1-ethoxy-3-oxo-1-buten-1-olate; propane-1,3-diolate; titanium(4+) IUPAC Name: (E)-1-ethoxy-3-oxobut-1-en-1-olate; propane-1,3-diolate; titanium(4+) Traditional Name: (E)-1-ethoxy-3-keto-but-1-en-1-olate; propane-1,3-diolate; titanium(4+) Formula: C15H24O8Ti MolecularWeight: 380.21326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H10O3.C3H6O2.Ti/c2*1-3-9-6(8)4-5(2)7;4-2-1-3-5;/h2*4,8H,3H2,1-2H3;1-3H2;/q;;-2;+4/p-2/b2*6-4+;;