ethanoic acid; ethyl 3,3-bis(chloranyl)propanoate

Systemtic Name: ethanoic acid; ethyl 3,3-bis(chloranyl)propanoate Openeye Name: acetic acid; ethyl 3,3-dichloropropanoate CAS Name: acetic acid; 3,3-dichloropropanoic acid ethyl ester IUPAC Name: acetic acid; ethyl 3,3-dichloropropanoate Traditional Name: acetic acid; 3,3-dichloropropionic acid ethyl ester Formula: C7H12Cl2O4 MolecularWeight: 231.07378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(Cl)Cl.CC(=O)O

Isomeric SMILES

CCOC(=O)CC(Cl)Cl.CC(=O)O

InChI

InChI=1S/C5H8Cl2O2.C2H4O2/c1-2-9-5(8)3-4(6)7;1-2(3)4/h4H,2-3H2,1H3;1H3,(H,3,4)