2-methyl-5-nitro-benzenesulfonate

Systemtic Name: 2-methyl-5-nitro-benzenesulfonate Openeye Name: 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonate IUPAC Name: 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-besylate Formula: C7H6NO5S- MolecularWeight: 216.19124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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