diethyl 2-[(E)-2-(phenylsulfonyl)but-2-enyl]propanedioate

Systemtic Name: diethyl 2-[(E)-2-(phenylsulfonyl)but-2-enyl]propanedioate Openeye Name: diethyl 2-[(E)-2-(benzenesulfonyl)but-2-enyl]propanedioate CAS Name: 2-[(E)-2-(benzenesulfonyl)but-2-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-2-(benzenesulfonyl)but-2-enyl]propanedioate Traditional Name: 2-[(E)-2-besylbut-2-enyl]malonic acid diethyl ester Formula: C17H22O6S MolecularWeight: 354.41798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O6S/c1-4-13(24(20,21)14-10-8-7-9-11-14)12-15(16(18)22-5-2)17(19)23-6-3/h4,7-11,15H,5-6,12H2,1-3H3/b13-4+