3,5-dinitro-N-oxidanyl-4-sulfo-cyclohexa-2,5-dien-1-imine oxide

Systemtic Name: 3,5-dinitro-N-oxidanyl-4-sulfo-cyclohexa-2,5-dien-1-imine oxide Openeye Name: N-hydroxy-3,5-dinitro-4-sulfo-cyclohexa-2,5-dien-1-imine oxide CAS Name: N-hydroxy-3,5-dinitro-4-sulfo-1-cyclohexa-2,5-dienimine oxide IUPAC Name: N-hydroxy-3,5-dinitro-4-sulfocyclohexa-2,5-dien-1-imine oxide Traditional Name: N-hydroxy-3,5-dinitro-4-sulfo-cyclohexa-2,5-dien-1-imine oxide Formula: C6H5N3O9S MolecularWeight: 295.1836

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(C(=CC1=[N+](O)[O-])[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C(C(=CC1=[N+](O)[O-])[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C6H5N3O9S/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h1-2,6H,(H,10,11)(H,16,17,18)