3-nitrobenzenesulfonic acid hydrate

Systemtic Name: 3-nitrobenzenesulfonic acid hydrate Openeye Name: 3-nitrobenzenesulfonic acid hydrate CAS Name: 3-nitrobenzenesulfonic acid hydrate IUPAC Name: 3-nitrobenzenesulfonic acid hydrate Traditional Name: 3-nitrobesylic acid hydrate Formula: C6H7NO6S MolecularWeight: 221.18788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5NO5S.H2O/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);1H2