3-azanyl-5-nitro-benzenesulfonic acid

Systemtic Name: 3-azanyl-5-nitro-benzenesulfonic acid Openeye Name: 3-amino-5-nitro-benzenesulfonic acid CAS Name: 3-amino-5-nitrobenzenesulfonic acid IUPAC Name: 3-amino-5-nitrobenzenesulfonic acid Traditional Name: 3-amino-5-nitro-besylic acid Formula: C6H6N2O5S MolecularWeight: 218.18724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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