nitrobenzene hydrate

Systemtic Name: nitrobenzene hydrate Openeye Name: nitrobenzene hydrate CAS Name: nitrobenzene hydrate IUPAC Name: nitrobenzene hydrate Traditional Name: nitrobenzene hydrate Formula: C6H7NO3 MolecularWeight: 141.12468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+](=O)[O-].O

Isomeric SMILES

C1=CC=C(C=C1)[N+](=O)[O-].O

InChI

InChI=1S/C6H5NO2.H2O/c8-7(9)6-4-2-1-3-5-6;/h1-5H;1H2