5-chloranyl-3-nitro-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 5-chloranyl-3-nitro-2-oxidanyl-benzenesulfonic acid Openeye Name: 5-chloro-2-hydroxy-3-nitro-benzenesulfonic acid CAS Name: 5-chloro-2-hydroxy-3-nitrobenzenesulfonic acid IUPAC Name: 5-chloro-2-hydroxy-3-nitrobenzenesulfonic acid Traditional Name: 5-chloro-2-hydroxy-3-nitro-besylic acid Formula: C6H4ClNO6S MolecularWeight: 253.61706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C6H4ClNO6S/c7-3-1-4(8(10)11)6(9)5(2-3)15(12,13)14/h1-2,9H,(H,12,13,14)