sodium 4-methyl-3,5-dinitro-benzoate

Systemtic Name: sodium 4-methyl-3,5-dinitro-benzoate Openeye Name: sodium 4-methyl-3,5-dinitro-benzoate CAS Name: sodium 4-methyl-3,5-dinitrobenzoate IUPAC Name: sodium 4-methyl-3,5-dinitrobenzoate Traditional Name: sodium 4-methyl-3,5-dinitro-benzoate Formula: C8H5N2NaO6 MolecularWeight: 248.12487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C8H6N2O6.Na/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16;/h2-3H,1H3,(H,11,12);/q;+1/p-1