sodium 2,3,5-trimethyl-4,6-dinitro-benzenesulfonate

Systemtic Name: sodium 2,3,5-trimethyl-4,6-dinitro-benzenesulfonate Openeye Name: sodium 2,3,5-trimethyl-4,6-dinitro-benzenesulfonate CAS Name: sodium 2,3,5-trimethyl-4,6-dinitrobenzenesulfonate IUPAC Name: sodium 2,3,5-trimethyl-4,6-dinitrobenzenesulfonate Traditional Name: sodium 2,3,5-trimethyl-4,6-dinitro-besylate Formula: C9H9N2NaO7S MolecularWeight: 312.23173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O7S.Na/c1-4-5(2)9(19(16,17)18)8(11(14)15)6(3)7(4)10(12)13;/h1-3H3,(H,16,17,18);/q;+1/p-1