diethyl 2-[2-(phenylsulfinyl)propan-2-yl]propanedioate

Systemtic Name: diethyl 2-[2-(phenylsulfinyl)propan-2-yl]propanedioate Openeye Name: diethyl 2-[1-(benzenesulfinyl)-1-methyl-ethyl]propanedioate CAS Name: 2-[2-(benzenesulfinyl)propan-2-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(benzenesulfinyl)propan-2-yl]propanedioate Traditional Name: 2-[1-(benzenesulfinyl)-1-methyl-ethyl]malonic acid diethyl ester Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O5S/c1-5-20-14(17)13(15(18)21-6-2)16(3,4)22(19)12-10-8-7-9-11-12/h7-11,13H,5-6H2,1-4H3