sodium; hydrogen sulfite; 1,2,3-trinitrobenzene

Systemtic Name: sodium; hydrogen sulfite; 1,2,3-trinitrobenzene Openeye Name: sodium; hydrogen sulfite; 1,2,3-trinitrobenzene CAS Name: sodium; hydrogen sulfite; 1,2,3-trinitrobenzene IUPAC Name: sodium; hydrogen sulfite; 1,2,3-trinitrobenzene Traditional Name: sodium 1,2,3-trinitrobenzene bisulfite Formula: C6H4N3NaO9S MolecularWeight: 317.16543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].OS(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].OS(=O)[O-].[Na+]

InChI

InChI=1S/C6H3N3O6.Na.H2O3S/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;;1-4(2)3/h1-3H;;(H2,1,2,3)/q;+1;/p-1