4-bis(oxidanidyl)azaniumylidene-3-methoxycarbonyl-2,6-dinitro-cyclohexa-2,5-diene-1-sulfonate

Systemtic Name: 4-bis(oxidanidyl)azaniumylidene-3-methoxycarbonyl-2,6-dinitro-cyclohexa-2,5-diene-1-sulfonate Openeye Name: 4-dioxidoiminio-3-methoxycarbonyl-2,6-dinitro-cyclohexa-2,5-diene-1-sulfonate CAS Name: 4-dioxidoiminio-3-methoxycarbonyl-2,6-dinitro-1-cyclohexa-2,5-dienesulfonate IUPAC Name: 4-dioxidoazaniumylidene-3-methoxycarbonyl-2,6-dinitrocyclohexa-2,5-diene-1-sulfonate Traditional Name: 3-carbomethoxy-4-dioxidoiminio-2,6-dinitro-cyclohexa-2,5-diene-1-sulfonate Formula: C8H5N3O11S-2 MolecularWeight: 351.2038

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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/C8H6N3O11S/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-,13,14,19,20,21)/q-1/p-1