(4-nitro-2-sulfooxy-phenyl) hydrogen sulfate

Systemtic Name: (4-nitro-2-sulfooxy-phenyl) hydrogen sulfate Openeye Name: (4-nitro-2-sulfooxy-phenyl) hydrogen sulfate CAS Name: sulfuric acid (4-nitro-2-sulfooxyphenyl) ester IUPAC Name: (4-nitro-2-sulfooxyphenyl) hydrogen sulfate Traditional Name: sulfuric acid (4-nitro-2-sulfoxy-phenyl) ester Formula: C6H5NO10S2 MolecularWeight: 315.2346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5NO10S2/c8-7(9)4-1-2-5(16-18(10,11)12)6(3-4)17-19(13,14)15/h1-3H,(H,10,11,12)(H,13,14,15)