[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-bromanylbenzenesulfonate Openeye Name: [4-[(E)-3-(2-thienyl)prop-2-enoyl]phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [4-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [4-[(E)-3-(2-thienyl)acryloyl]phenyl] ester Formula: C19H13BrO4S2 MolecularWeight: 449.33812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrO4S2/c20-15-5-10-18(11-6-15)26(22,23)24-16-7-3-14(4-8-16)19(21)12-9-17-2-1-13-25-17/h1-13H/b12-9+