2-methyl-3,5-dinitro-benzenesulfonic acid; sodium

Systemtic Name: 2-methyl-3,5-dinitro-benzenesulfonic acid; sodium Openeye Name: 2-methyl-3,5-dinitro-benzenesulfonic acid; sodium CAS Name: 2-methyl-3,5-dinitrobenzenesulfonic acid; sodium IUPAC Name: 2-methyl-3,5-dinitrobenzenesulfonic acid; sodium Traditional Name: 2-methyl-3,5-dinitro-besylic acid; sodium Formula: C7H6N2NaO7S MolecularWeight: 285.18651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-].[Na]

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-].[Na]

InChI

InChI=1S/C7H6N2O7S.Na/c1-4-6(9(12)13)2-5(8(10)11)3-7(4)17(14,15)16;/h2-3H,1H3,(H,14,15,16);