2-ethanoylpentanoate; propan-2-ol; titanium(2+)

Systemtic Name: 2-ethanoylpentanoate; propan-2-ol; titanium(2+) Openeye Name: 2-acetylpentanoate; propan-2-ol; titanium(2+) CAS Name: 2-acetylpentanoate; 2-propanol; titanium(2+) IUPAC Name: 2-acetylpentanoate; propan-2-ol; titanium(2+) Traditional Name: 2-acetylvalerate; propan-2-ol; titanium(2+) Formula: C20H38O8Ti MolecularWeight: 454.37792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H12O3.2C3H8O.Ti/c2*1-3-4-6(5(2)8)7(9)10;2*1-3(2)4;/h2*6H,3-4H2,1-2H3,(H,9,10);2*3-4H,1-2H3;/q;;;;+2/p-2