diethyl 2-(2-iodanylethynyl)-2-(phenylmethyl)propanedioate

Systemtic Name: diethyl 2-(2-iodanylethynyl)-2-(phenylmethyl)propanedioate Openeye Name: diethyl 2-benzyl-2-(2-iodoethynyl)propanedioate CAS Name: 2-(2-iodoethynyl)-2-(phenylmethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-benzyl-2-(2-iodoethynyl)propanedioate Traditional Name: 2-benzyl-2-(2-iodoethynyl)malonic acid diethyl ester Formula: C16H17IO4 MolecularWeight: 400.20825

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)(C#CI)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)(C#CI)C(=O)OCC

InChI

InChI=1S/C16H17IO4/c1-3-20-14(18)16(10-11-17,15(19)21-4-2)12-13-8-6-5-7-9-13/h5-9H,3-4,12H2,1-2H3