3,3-bis(fluoranyl)-2-oxidanylidene-3-phenyl-propanoic acid hydrate

Systemtic Name: 3,3-bis(fluoranyl)-2-oxidanylidene-3-phenyl-propanoic acid hydrate Openeye Name: 3,3-difluoro-2-oxo-3-phenyl-propanoic acid hydrate CAS Name: 3,3-difluoro-2-oxo-3-phenylpropanoic acid hydrate IUPAC Name: 3,3-difluoro-2-oxo-3-phenylpropanoic acid hydrate Traditional Name: 3,3-difluoro-2-keto-3-phenyl-propionic acid hydrate Formula: C9H8F2O4 MolecularWeight: 218.154226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6F2O3.H2O/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6;/h1-5H,(H,13,14);1H2