2,4-dinitrobenzenesulfonic acid dihydrate

Systemtic Name: 2,4-dinitrobenzenesulfonic acid dihydrate Openeye Name: 2,4-dinitrobenzenesulfonic acid dihydrate CAS Name: 2,4-dinitrobenzenesulfonic acid dihydrate IUPAC Name: 2,4-dinitrobenzenesulfonic acid dihydrate Traditional Name: 2,4-dinitrobesylic acid dihydrate Formula: C6H8N2O9S MolecularWeight: 284.20072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H4N2O7S.2H2O/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12;;/h1-3H,(H,13,14,15);2*1H2