ethanol; (Z)-4-oxidanylidenepent-2-en-2-olate; propan-2-ol; titanium

Systemtic Name: ethanol; (Z)-4-oxidanylidenepent-2-en-2-olate; propan-2-ol; titanium Openeye Name: ethanol; (Z)-4-oxopent-2-en-2-olate; propan-2-ol; titanium CAS Name: ethanol; (Z)-4-oxo-2-penten-2-olate; 2-propanol; titanium IUPAC Name: ethanol; (Z)-4-oxopent-2-en-2-olate; propan-2-ol; titanium Traditional Name: ethanol; (Z)-4-ketopent-2-en-2-olate; propan-2-ol; titanium Formula: C20H42O8Ti2-2 MolecularWeight: 506.27668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H8O2.2C3H8O.2C2H6O.2Ti/c2*1-4(6)3-5(2)7;2*1-3(2)4;2*1-2-3;;/h2*3,6H,1-2H3;2*3-4H,1-2H3;2*3H,2H2,1H3;;/p-2/b2*4-3-;;;;;;