(3-azanyl-2-oxidanyl-5-sulfooxy-phenyl) hydrogen sulfate

Systemtic Name: (3-azanyl-2-oxidanyl-5-sulfooxy-phenyl) hydrogen sulfate Openeye Name: (3-amino-2-hydroxy-5-sulfooxy-phenyl) hydrogen sulfate CAS Name: sulfuric acid (3-amino-2-hydroxy-5-sulfooxyphenyl) ester IUPAC Name: (3-amino-2-hydroxy-5-sulfooxyphenyl) hydrogen sulfate Traditional Name: sulfuric acid (3-amino-2-hydroxy-5-sulfoxy-phenyl) ester Formula: C6H7NO9S2 MolecularWeight: 301.25108

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1OS(=O)(=O)O)O)N)OS(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1OS(=O)(=O)O)O)N)OS(=O)(=O)O

InChI

InChI=1S/C6H7NO9S2/c7-4-1-3(15-17(9,10)11)2-5(6(4)8)16-18(12,13)14/h1-2,8H,7H2,(H,9,10,11)(H,12,13,14)