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

Systemtic Name: dimethyl 2-[(E)-3-(phenylsulfonyl)prop-2-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-3-(benzenesulfonyl)allyl]propanedioate CAS Name: 2-[(E)-3-(benzenesulfonyl)prop-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-3-(benzenesulfonyl)prop-2-enyl]propanedioate Traditional Name: 2-[(E)-3-besylallyl]malonic acid dimethyl ester Formula: C14H16O6S MolecularWeight: 312.33824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O6S/c1-19-13(15)12(14(16)20-2)9-6-10-21(17,18)11-7-4-3-5-8-11/h3-8,10,12H,9H2,1-2H3/b10-6+