[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl] 4-bromanylbenzenesulfonate Openeye Name: [4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [4-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [4-[(E)-3-(2-chlorophenyl)acryloyl]phenyl] ester Formula: C21H14BrClO4S MolecularWeight: 477.75546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C21H14BrClO4S/c22-17-8-12-19(13-9-17)28(25,26)27-18-10-5-16(6-11-18)21(24)14-7-15-3-1-2-4-20(15)23/h1-14H/b14-7+