(3-azanyl-5-oxidanyl-7-sulfooxy-naphthalen-2-yl) hydrogen sulfate

Systemtic Name: (3-azanyl-5-oxidanyl-7-sulfooxy-naphthalen-2-yl) hydrogen sulfate Openeye Name: (3-amino-5-hydroxy-7-sulfooxy-2-naphthyl) hydrogen sulfate CAS Name: sulfuric acid (3-amino-5-hydroxy-7-sulfooxy-2-naphthalenyl) ester IUPAC Name: (3-amino-5-hydroxy-7-sulfooxynaphthalen-2-yl) hydrogen sulfate Traditional Name: sulfuric acid (3-amino-5-hydroxy-7-sulfoxy-2-naphthyl) ester Formula: C10H9NO9S2 MolecularWeight: 351.30976

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=CC(=C1OS(=O)(=O)O)N)O)OS(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C=C(C2=CC(=C1OS(=O)(=O)O)N)O)OS(=O)(=O)O

InChI

InChI=1S/C10H9NO9S2/c11-8-4-7-5(2-10(8)20-22(16,17)18)1-6(3-9(7)12)19-21(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)