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

Systemtic Name: 3-azanyl-4-chloranyl-5-nitro-benzenesulfonic acid Openeye Name: 3-amino-4-chloro-5-nitro-benzenesulfonic acid CAS Name: 3-amino-4-chloro-5-nitrobenzenesulfonic acid IUPAC Name: 3-amino-4-chloro-5-nitrobenzenesulfonic acid Traditional Name: 3-amino-4-chloro-5-nitro-besylic acid Formula: C6H5ClN2O5S MolecularWeight: 252.6323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5ClN2O5S/c7-6-4(8)1-3(15(12,13)14)2-5(6)9(10)11/h1-2H,8H2,(H,12,13,14)