3-nitro-4-(phenylsulfonyloxy)benzenesulfonic acid

Systemtic Name: 3-nitro-4-(phenylsulfonyloxy)benzenesulfonic acid Openeye Name: 4-(benzenesulfonyloxy)-3-nitro-benzenesulfonic acid CAS Name: 4-(benzenesulfonyloxy)-3-nitrobenzenesulfonic acid IUPAC Name: 4-(benzenesulfonyloxy)-3-nitrobenzenesulfonic acid Traditional Name: 4-besyloxy-3-nitro-besylic acid Formula: C12H9NO8S2 MolecularWeight: 359.33176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H9NO8S2/c14-13(15)11-8-10(22(16,17)18)6-7-12(11)21-23(19,20)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)