methyl 2-methyl-5-methylsulfonyl-4-propanoyl-benzoate

Systemtic Name: methyl 2-methyl-5-methylsulfonyl-4-propanoyl-benzoate Openeye Name: methyl 2-methyl-5-methylsulfonyl-4-propanoyl-benzoate CAS Name: 2-methyl-5-methylsulfonyl-4-(1-oxopropyl)benzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-methylsulfonyl-4-propanoylbenzoate Traditional Name: 5-mesyl-2-methyl-4-propionyl-benzoic acid methyl ester Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1S(=O)(=O)C)C(=O)OC)C

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1S(=O)(=O)C)C(=O)OC)C

InChI

InChI=1S/C13H16O5S/c1-5-11(14)10-6-8(2)9(13(15)18-3)7-12(10)19(4,16)17/h6-7H,5H2,1-4H3