sodium 2,4,6-trinitrophenolate hydrate

Systemtic Name: sodium 2,4,6-trinitrophenolate hydrate Openeye Name: sodium 2,4,6-trinitrophenolate hydrate CAS Name: sodium 2,4,6-trinitrophenolate hydrate IUPAC Name: sodium 2,4,6-trinitrophenolate hydrate Traditional Name: sodium picrate hydrate Formula: C6H4N3NaO8 MolecularWeight: 269.10103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O7.Na.H2O/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;;/h1-2,10H;;1H2/q;+1;/p-1