5-oxidanyl-4-phenyl-1,2-oxazol-3-one hydrate

Systemtic Name: 5-oxidanyl-4-phenyl-1,2-oxazol-3-one hydrate Openeye Name: 5-hydroxy-4-phenyl-isoxazol-3-one hydrate CAS Name: 5-hydroxy-4-phenyl-3-isoxazolone hydrate IUPAC Name: 5-hydroxy-4-phenyl-1,2-oxazol-3-one hydrate Traditional Name: 5-hydroxy-4-phenyl-4-isoxazolin-3-one hydrate Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(ONC2=O)O.C1=CC=C(C=C1)C2=C(ONC2=O)O.O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(ONC2=O)O.C1=CC=C(C=C1)C2=C(ONC2=O)O.O

InChI

InChI=1S/2C9H7NO3.H2O/c2*11-8-7(9(12)13-10-8)6-4-2-1-3-5-6;/h2*1-5,12H,(H,10,11);1H2