[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [4-[(E)-3-(2-thienyl)prop-2-enoyl]phenyl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [4-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [4-[(E)-3-(2-thienyl)acryloyl]phenyl] ester Formula: C22H20O4S2 MolecularWeight: 412.5218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)C=CC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)/C=C/C3=CC=CS3)C

InChI

InChI=1S/C22H20O4S2/c1-15-13-16(2)22(17(3)14-15)28(24,25)26-19-8-6-18(7-9-19)21(23)11-10-20-5-4-12-27-20/h4-14H,1-3H3/b11-10+