dimethyl 2-[(E)-4-(phenylsulfonyl)but-3-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-4-(phenylsulfonyl)but-3-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-4-(benzenesulfonyl)but-3-enyl]propanedioate CAS Name: 2-[(E)-4-(benzenesulfonyl)but-3-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-4-(benzenesulfonyl)but-3-enyl]propanedioate Traditional Name: 2-[(E)-4-besylbut-3-enyl]malonic acid dimethyl ester Formula: C15H18O6S MolecularWeight: 326.36482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC=CS(=O)(=O)C1=CC=CC=C1)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H18O6S/c1-20-14(16)13(15(17)21-2)10-6-7-11-22(18,19)12-8-4-3-5-9-12/h3-5,7-9,11,13H,6,10H2,1-2H3/b11-7+