methyl 2-methyl-4-methylsulfonyl-3-[(E)-3-oxidanylidenebut-1-enyl]benzoate

Systemtic Name: methyl 2-methyl-4-methylsulfonyl-3-[(E)-3-oxidanylidenebut-1-enyl]benzoate Openeye Name: methyl 2-methyl-4-methylsulfonyl-3-[(E)-3-oxobut-1-enyl]benzoate CAS Name: 2-methyl-4-methylsulfonyl-3-[(E)-3-oxobut-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-4-methylsulfonyl-3-[(E)-3-oxobut-1-enyl]benzoate Traditional Name: 3-[(E)-3-ketobut-1-enyl]-4-mesyl-2-methyl-benzoic acid methyl ester Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C=CC(=O)C)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H16O5S/c1-9(15)5-6-11-10(2)12(14(16)19-3)7-8-13(11)20(4,17)18/h5-8H,1-4H3/b6-5+