2,4-dinitrobenzenesulfonic acid hydrate

Systemtic Name: 2,4-dinitrobenzenesulfonic acid hydrate Openeye Name: 2,4-dinitrobenzenesulfonic acid hydrate CAS Name: 2,4-dinitrobenzenesulfonic acid hydrate IUPAC Name: 2,4-dinitrobenzenesulfonic acid hydrate Traditional Name: 2,4-dinitrobesylic acid hydrate Formula: C6H6N2O8S MolecularWeight: 266.18544

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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

Isomeric SMILES

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

InChI

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