2,4-bis(oxidanylidene)pentanoic acid; bis(oxidanyl)-oxidanylidene-titanium; butane

Systemtic Name: 2,4-bis(oxidanylidene)pentanoic acid; bis(oxidanyl)-oxidanylidene-titanium; butane Openeye Name: butane; dihydroxy(oxo)titanium; 2,4-dioxopentanoic acid CAS Name: butane; dihydroxy(oxo)titanium; 2,4-dioxopentanoic acid IUPAC Name: butane; dihydroxy(oxo)titanium; 2,4-dioxopentanoic acid Traditional Name: butane; dihydroxy(keto)titanium; 2,4-diketovaleric acid Formula: C18H32O11Ti-2 MolecularWeight: 472.30708

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].CC(=O)CC(=O)C(=O)O.CC(=O)CC(=O)C(=O)O.O[Ti](=O)O

Isomeric SMILES

CCC[CH2-].CCC[CH2-].CC(=O)CC(=O)C(=O)O.CC(=O)CC(=O)C(=O)O.O[Ti](=O)O

InChI

InChI=1S/2C5H6O4.2C4H9.2H2O.O.Ti/c2*1-3(6)2-4(7)5(8)9;2*1-3-4-2;;;;/h2*2H2,1H3,(H,8,9);2*1,3-4H2,2H3;2*1H2;;/q;;2*-1;;;;+2/p-2