(4-phenoxyphenyl) 2-methoxy-5-nitro-benzenesulfonate

Systemtic Name: (4-phenoxyphenyl) 2-methoxy-5-nitro-benzenesulfonate Openeye Name: (4-phenoxyphenyl) 2-methoxy-5-nitro-benzenesulfonate CAS Name: 2-methoxy-5-nitrobenzenesulfonic acid (4-phenoxyphenyl) ester IUPAC Name: (4-phenoxyphenyl) 2-methoxy-5-nitrobenzenesulfonate Traditional Name: 2-methoxy-5-nitro-benzenesulfonic acid (4-phenoxyphenyl) ester Formula: C19H15NO7S MolecularWeight: 401.3899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H15NO7S/c1-25-18-12-7-14(20(21)22)13-19(18)28(23,24)27-17-10-8-16(9-11-17)26-15-5-3-2-4-6-15/h2-13H,1H3