[(E)-3-phenylprop-2-enyl] 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: [(E)-cinnamyl] 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid [(E)-cinnamyl] ester Formula: C17H15ClO4S MolecularWeight: 350.8166

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC=CC2=CC=CC=C2)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OC/C=C/C2=CC=CC=C2)Cl

InChI

InChI=1S/C17H15ClO4S/c1-23(20,21)16-12-14(9-10-15(16)18)17(19)22-11-5-8-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3/b8-5+