butan-1-ol; ethanoyl ethanoate; oxidanylidenetitanium

Systemtic Name: butan-1-ol; ethanoyl ethanoate; oxidanylidenetitanium Openeye Name: acetyl acetate; butan-1-ol; oxotitanium CAS Name: acetic acid acetyl ester; 1-butanol; oxotitanium IUPAC Name: acetyl acetate; butan-1-ol; oxotitanium Traditional Name: acetic acid acetyl ester; butan-1-ol; ketotitanium Formula: C12H26O6Ti MolecularWeight: 314.19824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCO.CCCCO.CC(=O)OC(=O)C.O=[Ti]

Isomeric SMILES

CCCCO.CCCCO.CC(=O)OC(=O)C.O=[Ti]

InChI

InChI=1S/C4H6O3.2C4H10O.O.Ti/c1-3(5)7-4(2)6;2*1-2-3-4-5;;/h1-2H3;2*5H,2-4H2,1H3;;