(E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; 2-methylpropan-1-olate; titanium(4+)

Systemtic Name: (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; 2-methylpropan-1-olate; titanium(4+) Openeye Name: (E)-1-ethoxy-3-oxo-but-1-en-1-olate; 2-methylpropan-1-olate; titanium(4+) CAS Name: (E)-1-ethoxy-3-oxo-1-buten-1-olate; 2-methyl-1-propanolate; titanium(4+) IUPAC Name: (E)-1-ethoxy-3-oxobut-1-en-1-olate; 2-methylpropan-1-olate; titanium(4+) Traditional Name: (E)-1-ethoxy-3-keto-but-1-en-1-olate; 2-methylpropan-1-olate; titanium(4+) Formula: C20H36O8Ti MolecularWeight: 452.36204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H10O3.2C4H9O.Ti/c2*1-3-9-6(8)4-5(2)7;2*1-4(2)3-5;/h2*4,8H,3H2,1-2H3;2*4H,3H2,1-2H3;/q;;2*-1;+4/p-2/b2*6-4+;;;