methyl (E)-6-(4-methylphenyl)sulfonyl-4-oxidanylidene-hex-2-enoate

Systemtic Name: methyl (E)-6-(4-methylphenyl)sulfonyl-4-oxidanylidene-hex-2-enoate Openeye Name: methyl (E)-4-oxo-6-(p-tolylsulfonyl)hex-2-enoate CAS Name: (E)-6-(4-methylphenyl)sulfonyl-4-oxo-2-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-(4-methylphenyl)sulfonyl-4-oxohex-2-enoate Traditional Name: (E)-4-keto-6-tosyl-hex-2-enoic acid methyl ester Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O5S/c1-11-3-6-13(7-4-11)20(17,18)10-9-12(15)5-8-14(16)19-2/h3-8H,9-10H2,1-2H3/b8-5+