ethanoic acid; 1,1,1-tris(chloranyl)propane

Systemtic Name: ethanoic acid; 1,1,1-tris(chloranyl)propane Openeye Name: acetic acid; 1,1,1-trichloropropane CAS Name: acetic acid; 1,1,1-trichloropropane IUPAC Name: acetic acid; 1,1,1-trichloropropane Traditional Name: acetic acid; 1,1,1-trichloropropane Formula: C5H9Cl3O2 MolecularWeight: 207.48276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(Cl)(Cl)Cl.CC(=O)O

Isomeric SMILES

CCC(Cl)(Cl)Cl.CC(=O)O

InChI

InChI=1S/C3H5Cl3.C2H4O2/c1-2-3(4,5)6;1-2(3)4/h2H2,1H3;1H3,(H,3,4)