phenacyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: phenacyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: phenacyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid phenacyl ester IUPAC Name: phenacyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid phenacyl ester Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O5S/c1-12-8-9-14(23(2,20)21)10-15(12)17(19)22-11-16(18)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3