dimethyl 2-[(2-iodanylphenyl)methyl]-2-prop-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-[(2-iodanylphenyl)methyl]-2-prop-2-ynyl-propanedioate Openeye Name: dimethyl 2-[(2-iodophenyl)methyl]-2-prop-2-ynyl-propanedioate CAS Name: 2-[(2-iodophenyl)methyl]-2-prop-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-iodophenyl)methyl]-2-prop-2-ynylpropanedioate Traditional Name: 2-(2-iodobenzyl)-2-propargyl-malonic acid dimethyl ester Formula: C15H15IO4 MolecularWeight: 386.18167

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#C)(CC1=CC=CC=C1I)C(=O)OC

Isomeric SMILES

COC(=O)C(CC#C)(CC1=CC=CC=C1I)C(=O)OC

InChI

InChI=1S/C15H15IO4/c1-4-9-15(13(17)19-2,14(18)20-3)10-11-7-5-6-8-12(11)16/h1,5-8H,9-10H2,2-3H3