2-ethyl-3-oxidanylidene-butanoate; oxidanylidenetitanium(2+); propan-2-one

Systemtic Name: 2-ethyl-3-oxidanylidene-butanoate; oxidanylidenetitanium(2+); propan-2-one Openeye Name: acetone; 2-ethyl-3-oxo-butanoate; oxotitanium(2+) CAS Name: 2-ethyl-3-oxobutanoate; oxotitanium(2+); 2-propanone IUPAC Name: 2-ethyl-3-oxobutanoate; oxotitanium(2+); propan-2-one Traditional Name: acetone; 2-ethyl-3-keto-butyrate; ketotitanium(2+) Formula: C15H24O8Ti MolecularWeight: 380.21326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)C(=O)[O-].CCC(C(=O)C)C(=O)[O-].CC(=O)C.O=[Ti+2]

Isomeric SMILES

CCC(C(=O)C)C(=O)[O-].CCC(C(=O)C)C(=O)[O-].CC(=O)C.O=[Ti+2]

InChI

InChI=1S/2C6H10O3.C3H6O.O.Ti/c2*1-3-5(4(2)7)6(8)9;1-3(2)4;;/h2*5H,3H2,1-2H3,(H,8,9);1-2H3;;/q;;;;+2/p-2