2-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethanal hydrate

Systemtic Name: 2-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethanal hydrate Openeye Name: 2-(4-amino-3,5-dichloro-phenyl)-2-oxo-acetaldehyde hydrate CAS Name: 2-(4-amino-3,5-dichlorophenyl)-2-oxoacetaldehyde hydrate IUPAC Name: 2-(4-amino-3,5-dichlorophenyl)-2-oxoacetaldehyde hydrate Traditional Name: 2-(4-amino-3,5-dichloro-phenyl)-2-keto-acetaldehyde hydrate Formula: C8H7Cl2NO3 MolecularWeight: 236.05208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N)Cl)C(=O)C=O.O

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N)Cl)C(=O)C=O.O

InChI

InChI=1S/C8H5Cl2NO2.H2O/c9-5-1-4(7(13)3-12)2-6(10)8(5)11;/h1-3H,11H2;1H2