(3-azanyl-5-nitro-4-oxidanyl-phenyl) hydrogen sulfate

Systemtic Name: (3-azanyl-5-nitro-4-oxidanyl-phenyl) hydrogen sulfate Openeye Name: (3-amino-4-hydroxy-5-nitro-phenyl) hydrogen sulfate CAS Name: sulfuric acid (3-amino-4-hydroxy-5-nitrophenyl) ester IUPAC Name: (3-amino-4-hydroxy-5-nitrophenyl) hydrogen sulfate Traditional Name: sulfuric acid (3-amino-4-hydroxy-5-nitro-phenyl) ester Formula: C6H6N2O7S MolecularWeight: 250.18604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6N2O7S/c7-4-1-3(15-16(12,13)14)2-5(6(4)9)8(10)11/h1-2,9H,7H2,(H,12,13,14)