3-methyl-4-nitro-benzenesulfonate

Systemtic Name: 3-methyl-4-nitro-benzenesulfonate Openeye Name: 3-methyl-4-nitro-benzenesulfonate CAS Name: 3-methyl-4-nitrobenzenesulfonate IUPAC Name: 3-methyl-4-nitrobenzenesulfonate Traditional Name: 3-methyl-4-nitro-besylate Formula: C7H6NO5S- MolecularWeight: 216.19124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO5S/c1-5-4-6(14(11,12)13)2-3-7(5)8(9)10/h2-4H,1H3,(H,11,12,13)/p-1