2,4-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: 2,4-dimethyl-5-nitro-benzenesulfonate Openeye Name: 2,4-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,4-dimethyl-5-nitrobenzenesulfonate IUPAC Name: 2,4-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,4-dimethyl-5-nitro-besylate Formula: C8H8NO5S- MolecularWeight: 230.21782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO5S/c1-5-3-6(2)8(15(12,13)14)4-7(5)9(10)11/h3-4H,1-2H3,(H,12,13,14)/p-1