sodium 4-nitrobenzoate hydrate

Systemtic Name: sodium 4-nitrobenzoate hydrate Openeye Name: sodium 4-nitrobenzoate hydrate CAS Name: sodium 4-nitrobenzoate hydrate IUPAC Name: sodium 4-nitrobenzoate hydrate Traditional Name: sodium 4-nitrobenzoate hydrate Formula: C7H6NNaO5 MolecularWeight: 207.11601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].O.[Na+]

InChI

InChI=1S/C7H5NO4.Na.H2O/c9-7(10)5-1-3-6(4-2-5)8(11)12;;/h1-4H,(H,9,10);;1H2/q;+1;/p-1