3-azanyl-2-nitro-benzenesulfonic acid

Systemtic Name: 3-azanyl-2-nitro-benzenesulfonic acid Openeye Name: 3-amino-2-nitro-benzenesulfonic acid CAS Name: 3-amino-2-nitrobenzenesulfonic acid IUPAC Name: 3-amino-2-nitrobenzenesulfonic acid Traditional Name: 3-amino-2-nitro-besylic acid Formula: C6H6N2O5S MolecularWeight: 218.18724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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