[2-(4-methylphenyl)sulfonyloxy-3-nitro-5-(2-phenylethanoyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-methylphenyl)sulfonyloxy-3-nitro-5-(2-phenylethanoyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-nitro-5-(2-phenylacetyl)-2-(p-tolylsulfonyloxy)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-methylphenyl)sulfonyloxy-3-nitro-5-(1-oxo-2-phenylethyl)phenyl] ester IUPAC Name: [2-(4-methylphenyl)sulfonyloxy-3-nitro-5-(2-phenylacetyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-nitro-5-(2-phenylacetyl)-2-tosyloxy-phenyl] ester Formula: C28H23NO9S2 MolecularWeight: 581.61352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2OS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-])C(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2OS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-])C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H23NO9S2/c1-19-8-12-23(13-9-19)39(33,34)37-27-18-22(26(30)16-21-6-4-3-5-7-21)17-25(29(31)32)28(27)38-40(35,36)24-14-10-20(2)11-15-24/h3-15,17-18H,16H2,1-2H3