3-nitro-4-(4-phenylmethoxyphenoxy)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-nitro-4-(4-phenylmethoxyphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-benzyloxyphenoxy)-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 3-nitro-4-(4-phenylmethoxyphenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-nitro-4-(4-phenylmethoxyphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-benzoxyphenoxy)-3-nitro-5-sulfamoyl-benzoic acid Formula: C20H16N2O8S MolecularWeight: 444.41464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC3=C(C=C(C=C3S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC3=C(C=C(C=C3S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O8S/c21-31(27,28)18-11-14(20(23)24)10-17(22(25)26)19(18)30-16-8-6-15(7-9-16)29-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,24)(H2,21,27,28)