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

Systemtic Name: methyl (E)-6-(4-methylphenyl)sulfonyl-4-oxidanylidene-oct-2-enoate Openeye Name: methyl (E)-4-oxo-6-(p-tolylsulfonyl)oct-2-enoate CAS Name: (E)-6-(4-methylphenyl)sulfonyl-4-oxo-2-octenoic acid methyl ester IUPAC Name: methyl (E)-6-(4-methylphenyl)sulfonyl-4-oxooct-2-enoate Traditional Name: (E)-4-keto-6-tosyl-oct-2-enoic acid methyl ester Formula: C16H20O5S MolecularWeight: 324.392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O5S/c1-4-14(11-13(17)7-10-16(18)21-3)22(19,20)15-8-5-12(2)6-9-15/h5-10,14H,4,11H2,1-3H3/b10-7+