diethyl 2-[(E)-1-(phenylsulfonyl)non-1-en-3-yl]propanedioate

Systemtic Name: diethyl 2-[(E)-1-(phenylsulfonyl)non-1-en-3-yl]propanedioate Openeye Name: diethyl 2-[1-[(E)-2-(benzenesulfonyl)vinyl]heptyl]propanedioate CAS Name: 2-[(E)-1-(benzenesulfonyl)non-1-en-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-1-(benzenesulfonyl)non-1-en-3-yl]propanedioate Traditional Name: 2-[(E)-3-besyl-1-hexyl-allyl]malonic acid diethyl ester Formula: C22H32O6S MolecularWeight: 424.55088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32O6S/c1-4-7-8-10-13-18(20(21(23)27-5-2)22(24)28-6-3)16-17-29(25,26)19-14-11-9-12-15-19/h9,11-12,14-18,20H,4-8,10,13H2,1-3H3/b17-16+