sodium; 2,4,6-trinitrophenol; 2,4,6-trinitrophenolate

Systemtic Name: sodium; 2,4,6-trinitrophenol; 2,4,6-trinitrophenolate Openeye Name: sodium; picric acid; 2,4,6-trinitrophenolate CAS Name: sodium; 2,4,6-trinitrophenol; 2,4,6-trinitrophenolate IUPAC Name: sodium; 2,4,6-trinitrophenol; 2,4,6-trinitrophenolate Traditional Name: sodium picric acid picrate Formula: C12H5N6NaO14 MolecularWeight: 480.18967

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H3N3O7.Na/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h2*1-2,10H;/q;;+1/p-1