hydrogen sulfate; (2-methoxy-4-nitro-5-sulfooxy-phenyl)azanium

Systemtic Name: hydrogen sulfate; (2-methoxy-4-nitro-5-sulfooxy-phenyl)azanium Openeye Name: hydrogen sulfate; (2-methoxy-4-nitro-5-sulfooxy-phenyl)ammonium CAS Name: hydrogen sulfate; (2-methoxy-4-nitro-5-sulfooxyphenyl)ammonium IUPAC Name: hydrogen sulfate; (2-methoxy-4-nitro-5-sulfooxyphenyl)azanium Traditional Name: (2-methoxy-4-nitro-5-sulfoxy-phenyl)ammonium bisulfate Formula: C7H10N2O11S2 MolecularWeight: 362.2911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)[N+](=O)[O-])OS(=O)(=O)O)[NH3+].OS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C(=C1)[N+](=O)[O-])OS(=O)(=O)O)[NH3+].OS(=O)(=O)[O-]

InChI

InChI=1S/C7H8N2O7S.H2O4S/c1-15-6-3-5(9(10)11)7(2-4(6)8)16-17(12,13)14;1-5(2,3)4/h2-3H,8H2,1H3,(H,12,13,14);(H2,1,2,3,4)