5-methyl-3-nitro-2-oxidanyl-benzenesulfonate

Systemtic Name: 5-methyl-3-nitro-2-oxidanyl-benzenesulfonate Openeye Name: 2-hydroxy-5-methyl-3-nitro-benzenesulfonate CAS Name: 2-hydroxy-5-methyl-3-nitrobenzenesulfonate IUPAC Name: 2-hydroxy-5-methyl-3-nitrobenzenesulfonate Traditional Name: 2-hydroxy-5-methyl-3-nitro-besylate Formula: C7H6NO6S- MolecularWeight: 232.19064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO6S/c1-4-2-5(8(10)11)7(9)6(3-4)15(12,13)14/h2-3,9H,1H3,(H,12,13,14)/p-1