[2-(4-bromanyl-2-methanoyl-phenoxy)-2-phenyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-bromanyl-2-methanoyl-phenoxy)-2-phenyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(4-bromo-2-formyl-phenoxy)-2-phenyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-bromo-2-formylphenoxy)-2-phenylethyl] ester IUPAC Name: [2-(4-bromo-2-formylphenoxy)-2-phenylethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-bromo-2-formyl-phenoxy)-2-phenyl-ethyl] ester Formula: C22H19BrO5S MolecularWeight: 475.35226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=CC=C2)OC3=C(C=C(C=C3)Br)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=CC=C2)OC3=C(C=C(C=C3)Br)C=O

InChI

InChI=1S/C22H19BrO5S/c1-16-7-10-20(11-8-16)29(25,26)27-15-22(17-5-3-2-4-6-17)28-21-12-9-19(23)13-18(21)14-24/h2-14,22H,15H2,1H3