2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethanal hydrate

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethanal hydrate Openeye Name: 2-(3,4-difluorophenyl)-2-oxo-acetaldehyde hydrate CAS Name: 2-(3,4-difluorophenyl)-2-oxoacetaldehyde hydrate IUPAC Name: 2-(3,4-difluorophenyl)-2-oxoacetaldehyde hydrate Traditional Name: 2-(3,4-difluorophenyl)-2-keto-acetaldehyde hydrate Formula: C8H6F2O3 MolecularWeight: 188.128246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C=O)F)F.O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C=O)F)F.O

InChI

InChI=1S/C8H4F2O2.H2O/c9-6-2-1-5(3-7(6)10)8(12)4-11;/h1-4H;1H2