2-butylpropanedioic acid; pentane-2,4-dione

Systemtic Name: 2-butylpropanedioic acid; pentane-2,4-dione Openeye Name: 2-butylpropanedioic acid; pentane-2,4-dione CAS Name: 2-butylpropanedioic acid; pentane-2,4-dione IUPAC Name: 2-butylpropanedioic acid; pentane-2,4-dione Traditional Name: 2-butylmalonic acid; pentane-2,4-dione Formula: C12H20O6 MolecularWeight: 260.2836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)C(=O)O.CC(=O)CC(=O)C

Isomeric SMILES

CCCCC(C(=O)O)C(=O)O.CC(=O)CC(=O)C

InChI

InChI=1S/C7H12O4.C5H8O2/c1-2-3-4-5(6(8)9)7(10)11;1-4(6)3-5(2)7/h5H,2-4H2,1H3,(H,8,9)(H,10,11);3H2,1-2H3