ethyl 4-methyl-3-(2-nitro-6-phenylmethoxy-phenyl)benzenesulfonate

Systemtic Name: ethyl 4-methyl-3-(2-nitro-6-phenylmethoxy-phenyl)benzenesulfonate Openeye Name: ethyl 3-(2-benzyloxy-6-nitro-phenyl)-4-methyl-benzenesulfonate CAS Name: 4-methyl-3-(2-nitro-6-phenylmethoxyphenyl)benzenesulfonic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-(2-nitro-6-phenylmethoxyphenyl)benzenesulfonate Traditional Name: 3-(2-benzoxy-6-nitro-phenyl)-4-methyl-benzenesulfonic acid ethyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C1=CC(=C(C=C1)C)C2=C(C=CC=C2OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOS(=O)(=O)C1=CC(=C(C=C1)C)C2=C(C=CC=C2OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21NO6S/c1-3-29-30(26,27)18-13-12-16(2)19(14-18)22-20(23(24)25)10-7-11-21(22)28-15-17-8-5-4-6-9-17/h4-14H,3,15H2,1-2H3