4-azanyl-3-methyl-5-nitro-benzenesulfonic acid

Systemtic Name: 4-azanyl-3-methyl-5-nitro-benzenesulfonic acid Openeye Name: 4-amino-3-methyl-5-nitro-benzenesulfonic acid CAS Name: 4-amino-3-methyl-5-nitrobenzenesulfonic acid IUPAC Name: 4-amino-3-methyl-5-nitrobenzenesulfonic acid Traditional Name: 4-amino-3-methyl-5-nitro-besylic acid Formula: C7H8N2O5S MolecularWeight: 232.21382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1N)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C7H8N2O5S/c1-4-2-5(15(12,13)14)3-6(7(4)8)9(10)11/h2-3H,8H2,1H3,(H,12,13,14)