2-[3,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethanal hydrate

Systemtic Name: 2-[3,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethanal hydrate Openeye Name: 2-(3,5-difluorophenyl)-2-oxo-acetaldehyde hydrate CAS Name: 2-(3,5-difluorophenyl)-2-oxoacetaldehyde hydrate IUPAC Name: 2-(3,5-difluorophenyl)-2-oxoacetaldehyde hydrate Traditional Name: 2-(3,5-difluorophenyl)-2-keto-acetaldehyde hydrate Formula: C8H6F2O3 MolecularWeight: 188.128246

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1F)F)C(=O)C=O.O

Isomeric SMILES

C1=C(C=C(C=C1F)F)C(=O)C=O.O

InChI

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