[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[(4-methylphenyl)sulfonylmethyl]benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[(4-methylphenyl)sulfonylmethyl]benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-(p-tolylsulfonylmethyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfonylmethyl]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-[(4-methylphenyl)sulfonylmethyl]benzoate Traditional Name: 4-(tosylmethyl)benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C23H19BrO5S MolecularWeight: 487.36296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H19BrO5S/c1-16-2-12-21(13-3-16)30(27,28)15-17-4-6-19(7-5-17)23(26)29-14-22(25)18-8-10-20(24)11-9-18/h2-13H,14-15H2,1H3