1,3-dinitrobenzene; 4-methylbenzenesulfonate

Systemtic Name: 1,3-dinitrobenzene; 4-methylbenzenesulfonate Openeye Name: 1,3-dinitrobenzene; 4-methylbenzenesulfonate CAS Name: 1,3-dinitrobenzene; 4-methylbenzenesulfonate IUPAC Name: 1,3-dinitrobenzene; 4-methylbenzenesulfonate Traditional Name: 1,3-dinitrobenzene tosylate Formula: C13H11N2O7S- MolecularWeight: 339.30064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H4N2O4/c1-6-2-4-7(5-3-6)11(8,9)10;9-7(10)5-2-1-3-6(4-5)8(11)12/h2-5H,1H3,(H,8,9,10);1-4H/p-1