2,4,5-trinitrobenzenesulfonic acid

Systemtic Name: 2,4,5-trinitrobenzenesulfonic acid Openeye Name: 2,4,5-trinitrobenzenesulfonic acid CAS Name: 2,4,5-trinitrobenzenesulfonic acid IUPAC Name: 2,4,5-trinitrobenzenesulfonic acid Traditional Name: 2,4,5-trinitrobesylic acid Formula: C6H3N3O9S MolecularWeight: 293.16772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O9S/c10-7(11)3-1-5(9(14)15)6(19(16,17)18)2-4(3)8(12)13/h1-2H,(H,16,17,18)