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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrClO4S/c22-17-7-11-20(12-8-17)28(25,26)27-19-9-5-16(6-10-19)21(24)13-4-15-2-1-3-18(23)14-15/h1-14H/b13-4+