4-azanyl-2-nitro-benzenesulfonate

Systemtic Name: 4-azanyl-2-nitro-benzenesulfonate Openeye Name: 4-amino-2-nitro-benzenesulfonate CAS Name: 4-amino-2-nitrobenzenesulfonate IUPAC Name: 4-amino-2-nitrobenzenesulfonate Traditional Name: 4-amino-2-nitro-besylate Formula: C6H5N2O5S- MolecularWeight: 217.1793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N)[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C6H6N2O5S/c7-4-1-2-6(14(11,12)13)5(3-4)8(9)10/h1-3H,7H2,(H,11,12,13)/p-1