[(E)-3-phenylprop-2-enyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [(E)-cinnamyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [(E)-cinnamyl] ester Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC=CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H18O4S/c1-14-10-11-16(23(2,20)21)13-17(14)18(19)22-12-6-9-15-7-4-3-5-8-15/h3-11,13H,12H2,1-2H3/b9-6+