(3-bromophenyl) 2-methoxy-4-nitro-benzenesulfonate

Systemtic Name: (3-bromophenyl) 2-methoxy-4-nitro-benzenesulfonate Openeye Name: (3-bromophenyl) 2-methoxy-4-nitro-benzenesulfonate CAS Name: 2-methoxy-4-nitrobenzenesulfonic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 2-methoxy-4-nitrobenzenesulfonate Traditional Name: 2-methoxy-4-nitro-benzenesulfonic acid (3-bromophenyl) ester Formula: C13H10BrNO6S MolecularWeight: 388.1906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC(=CC=C2)Br

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H10BrNO6S/c1-20-12-8-10(15(16)17)5-6-13(12)22(18,19)21-11-4-2-3-9(14)7-11/h2-8H,1H3