[2-[(E)-3-phenylprop-2-enoyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(E)-3-phenylprop-2-enoyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(E)-3-phenylprop-2-enoyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(E)-1-oxo-3-phenylprop-2-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-phenylprop-2-enoyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(E)-3-phenylacryloyl]phenyl] ester Formula: C22H18O4S MolecularWeight: 378.44092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H18O4S/c1-17-11-14-19(15-12-17)27(24,25)26-22-10-6-5-9-20(22)21(23)16-13-18-7-3-2-4-8-18/h2-16H,1H3/b16-13+