cyclopenta-1,3-diene; 2-ethanoyl-3-oxidanylidene-butanoate; titanium(2+)

Systemtic Name: cyclopenta-1,3-diene; 2-ethanoyl-3-oxidanylidene-butanoate; titanium(2+) Openeye Name: 2-acetyl-3-oxo-butanoate; cyclopenta-1,3-diene; titanium(2+) CAS Name: 2-acetyl-3-oxobutanoate; cyclopenta-1,3-diene; titanium(2+) IUPAC Name: 2-acetyl-3-oxobutanoate; cyclopenta-1,3-diene; titanium(2+) Traditional Name: 2-acetyl-3-keto-butyrate; cyclopenta-1,3-diene; titanium(2+) Formula: C16H17O4Ti- MolecularWeight: 321.17078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)C(=O)[O-].C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+2]

Isomeric SMILES

CC(=O)C(C(=O)C)C(=O)[O-].C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+2]

InChI

InChI=1S/C6H8O4.2C5H5.Ti/c1-3(7)5(4(2)8)6(9)10;2*1-2-4-5-3-1;/h5H,1-2H3,(H,9,10);2*1-3H,4H2;/q;2*-1;+2/p-1