2-nitrobenzenesulfonic acid; 3-nitrobenzenesulfonic acid

Systemtic Name: 2-nitrobenzenesulfonic acid; 3-nitrobenzenesulfonic acid Openeye Name: 2-nitrobenzenesulfonic acid; 3-nitrobenzenesulfonic acid CAS Name: 2-nitrobenzenesulfonic acid; 3-nitrobenzenesulfonic acid IUPAC Name: 2-nitrobenzenesulfonic acid; 3-nitrobenzenesulfonic acid Traditional Name: 2-nitrobesylic acid; 3-nitrobesylic acid Formula: C12H10N2O10S2 MolecularWeight: 406.3452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;8-7(9)5-3-1-2-4-6(5)13(10,11)12/h2*1-4H,(H,10,11,12)