5-(2,6-dimethyl-4-nitro-phenoxy)-2-phenylmethoxy-benzenesulfonic acid

Systemtic Name: 5-(2,6-dimethyl-4-nitro-phenoxy)-2-phenylmethoxy-benzenesulfonic acid Openeye Name: 2-benzyloxy-5-(2,6-dimethyl-4-nitro-phenoxy)benzenesulfonic acid CAS Name: 5-(2,6-dimethyl-4-nitrophenoxy)-2-phenylmethoxybenzenesulfonic acid IUPAC Name: 5-(2,6-dimethyl-4-nitrophenoxy)-2-phenylmethoxybenzenesulfonic acid Traditional Name: 2-benzoxy-5-(2,6-dimethyl-4-nitro-phenoxy)besylic acid Formula: C21H19NO7S MolecularWeight: 429.44306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19NO7S/c1-14-10-17(22(23)24)11-15(2)21(14)29-18-8-9-19(20(12-18)30(25,26)27)28-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,25,26,27)