2,4,6-trinitrobenzene-1,3,5-triol hydrate

Systemtic Name: 2,4,6-trinitrobenzene-1,3,5-triol hydrate Openeye Name: 2,4,6-trinitrobenzene-1,3,5-triol hydrate CAS Name: 2,4,6-trinitrobenzene-1,3,5-triol hydrate IUPAC Name: 2,4,6-trinitrobenzene-1,3,5-triol hydrate Traditional Name: 2,4,6-trinitrophloroglucinol hydrate Formula: C6H5N3O10 MolecularWeight: 279.118

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Descriptors Computed from Structure

Canonical SMILES:

C1(=C(C(=C(C(=C1O)[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-].O

Isomeric SMILES

C1(=C(C(=C(C(=C1O)[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-].O

InChI

InChI=1S/C6H3N3O9.H2O/c10-4-1(7(13)14)5(11)3(9(17)18)6(12)2(4)8(15)16;/h10-12H;1H2