2-azanyl-3-methoxy-5-nitro-benzenesulfonic acid

Systemtic Name: 2-azanyl-3-methoxy-5-nitro-benzenesulfonic acid Openeye Name: 2-amino-3-methoxy-5-nitro-benzenesulfonic acid CAS Name: 2-amino-3-methoxy-5-nitrobenzenesulfonic acid IUPAC Name: 2-amino-3-methoxy-5-nitrobenzenesulfonic acid Traditional Name: 2-amino-3-methoxy-5-nitro-besylic acid Formula: C7H8N2O6S MolecularWeight: 248.21322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])S(=O)(=O)O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])S(=O)(=O)O)N

InChI

InChI=1S/C7H8N2O6S/c1-15-5-2-4(9(10)11)3-6(7(5)8)16(12,13)14/h2-3H,8H2,1H3,(H,12,13,14)