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

Systemtic Name: diethyl 2-[(E)-3-(phenylsulfonyl)prop-2-enyl]propanedioate Openeye Name: diethyl 2-[(E)-3-(benzenesulfonyl)allyl]propanedioate CAS Name: 2-[(E)-3-(benzenesulfonyl)prop-2-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-3-(benzenesulfonyl)prop-2-enyl]propanedioate Traditional Name: 2-[(E)-3-besylallyl]malonic acid diethyl ester Formula: C16H20O6S MolecularWeight: 340.3914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CS(=O)(=O)C1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C/C=C/S(=O)(=O)C1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C16H20O6S/c1-3-21-15(17)14(16(18)22-4-2)11-8-12-23(19,20)13-9-6-5-7-10-13/h5-10,12,14H,3-4,11H2,1-2H3/b12-8+