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

Systemtic Name: 2-methoxycarbonyl-3,5-dinitro-N-oxidanyl-4-sulfo-cyclohexa-2,5-dien-1-imine oxide Openeye Name: N-hydroxy-2-methoxycarbonyl-3,5-dinitro-4-sulfo-cyclohexa-2,5-dien-1-imine oxide CAS Name: N-hydroxy-2-methoxycarbonyl-3,5-dinitro-4-sulfo-1-cyclohexa-2,5-dienimine oxide IUPAC Name: N-hydroxy-2-methoxycarbonyl-3,5-dinitro-4-sulfocyclohexa-2,5-dien-1-imine oxide Traditional Name: 2-carbomethoxy-N-hydroxy-3,5-dinitro-4-sulfo-cyclohexa-2,5-dien-1-imine oxide Formula: C8H7N3O11S MolecularWeight: 353.21968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C\1=C(C(C(=C/C1=[N+](/O)\[O-])[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H7N3O11S/c1-22-8(12)5-3(9(13)14)2-4(10(15)16)7(23(19,20)21)6(5)11(17)18/h2,7H,1H3,(H,13,14)(H,19,20,21)