4-nitrobenzenesulfonic acid hydrate

Systemtic Name: 4-nitrobenzenesulfonic acid hydrate Openeye Name: 4-nitrobenzenesulfonic acid hydrate CAS Name: 4-nitrobenzenesulfonic acid hydrate IUPAC Name: 4-nitrobenzenesulfonic acid hydrate Traditional Name: 4-nitrobesylic acid hydrate Formula: C6H7NO6S MolecularWeight: 221.18788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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