3,5-diethanoyl-3-oxidanyl-heptane-2,4,6-trione; titanium

Systemtic Name: 3,5-diethanoyl-3-oxidanyl-heptane-2,4,6-trione; titanium Openeye Name: 3,5-diacetyl-3-hydroxy-heptane-2,4,6-trione; titanium CAS Name: 3,5-diacetyl-3-hydroxyheptane-2,4,6-trione; titanium IUPAC Name: 3,5-diacetyl-3-hydroxyheptane-2,4,6-trione; titanium Traditional Name: 3,5-diacetyl-3-hydroxy-heptane-2,4,6-trione; titanium Formula: C44H56O24Ti MolecularWeight: 1016.76804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C11H14O6.Ti/c4*1-5(12)9(6(2)13)10(16)11(17,7(3)14)8(4)15;/h4*9,17H,1-4H3;