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

Systemtic Name: 4-azanyl-3-methoxy-5-nitro-benzenesulfonic acid Openeye Name: 4-amino-3-methoxy-5-nitro-benzenesulfonic acid CAS Name: 4-amino-3-methoxy-5-nitrobenzenesulfonic acid IUPAC Name: 4-amino-3-methoxy-5-nitrobenzenesulfonic acid Traditional Name: 4-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)S(=O)(=O)O)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

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